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Compound Summary

Trans-astaxanthin

Compound Information

Trans-astaxanthin

Compound Name:	Trans-astaxanthin
Compound CID:	5281224
Synonyms:	Astaxanthin 472-61-7 Ovoester all-trans-Astaxanthin AstaREAL More...
Iupac Name:	(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
InChI:	InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
InChIKey:	MQZIGYBFDRPAKN-UWFIBFSHSA-N
Canonical Smiles:	CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C
Isomeric Smiles:	CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C)/C)/C
Molecular Weight:	596.8
Molecular Formula:	C40H52O4

Compound Structure

2D Structure:

3D Structure:

Computed Properties

Trans-astaxanthin

Molecular Weight:	596.8
Molecular Formula:	C40H52O4
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	10
Heavy Atom Count:	44
Complexity:	1340

Synonyms

Trans-astaxanthin

Trans-astaxanthin	Trans-astaxanthin
Astaxanthin	472-61-7
Ovoester	all-trans-Astaxanthin
AstaREAL	3,3-Dihydroxy-beta,beta-carotene-4,4-dione
Astaxanthine	BioAstin
(3S,3S)-Astaxanthin	trans-Astaxanthin
Astaxanthin, (3S,3S)-"	(3S,3S)-all-trans-Astaxanthin
8XPW32PR7I	3,3-Dihydroxy-beta-carotene-4,4-dione
CHEBI:40968	NSC-635689
(6S,6S)-3,3-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(6-hydroxy-2,4,4-trimethylcyclohex-2-enone)"	(3S,3S)-3,3-Dihydroxy-beta,beta-carotene-4,4-dione"
.beta.,.beta.-Carotene-4,4-dione, 3,3-dihydroxy-, (3S,3S)-	Algae Haematococcus pluvialis
Natupink	AstaXin
Carophyll Pink	Lucantin Pink
BioAstin oleoresin	(6S)-6-Hydroxy-3-(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl-2,4,4-trimethyl-1-cyclohex-2-enone
Astaxanthin (6CI)	Astaxanthin, all-trans-
(6S)-6-hydroxy-3-(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl-2,4,4-trimethylcyclohex-2-en-1-one	UNII-8XPW32PR7I
astaxantin	CCRIS 7118
HSDB 7468	(6S)-6-hydroxy-3-(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl-2,4,4-trimethylcyclohex-2-en-1
EINECS 207-451-4	NSC 635689
3S,3S-Astaxanthin"	Astaxanthin, all-trans-, (3S,3S)-
Astaxanthin, 5% active	ASTAXANTHIN MI
b-Carotene-4,4-dione	ASTAXANTHIN HSDB
ASTAXANTHIN INCI	ASTAXANTHIN VANDF
ASTAXANTHIN MART.	SCHEMBL20047
ASTAXANTHIN USP-RS	ASTAXANTHIN WHO-DD
E161j	CHEMBL1255871
Astaxanthin, >=98% (HPLC)	E 161j
DTXSID00893777	all-trans-(3S,3S)-astaxanthin"
3,3-Dihydroxy-beta,beta-carotene-4,4-dione, (3S,3S)-	HMS3885C08
BCP05821	HY-B2163
LMPR01070263	MFCD00672621
s3834	AKOS015841055
AKOS015895756	ZINC100042059
AC-8760	BCP9000329
CCG-270185	DB06543
3,3-dihydroxy-ss-carotene-4,4-dione	all-trans-Astaxanthin, analytical standard
AS-14095	Astaxanthin 10 microg/mL in Acetonitrile
CS-0020413	C08580
M01303	3,3-dihydroxy-4,4-diketo-beta,beta-carotene
472A617	A827177
Q413740	Q-200655
3,3-DIHYDROXY-4,4-DIKETO-.BETA.-CAROTENE"	all-trans-3,3-dihydroxy-b-Carotene-4,4-dione (8CI)"
.beta.-Carotene-4,4-dione, 3,3-dihydroxy-, all-trans-	3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionicacid
all-trans-3,3-dihydroxy-beta-Carotene-4,4-dione (8CI)"	3,3-Dihydroxy-.beta.,.beta.-carotene-4,4-dione, (3S,3S)-"
(3S,3S)-3,3-DIHYDROXY-.BETA.,.BETA.-CAROTENE-4,4-DIONE	Astaxanthin. Short expiry date due to chemical nature of component(s)
3,3-Dihydroxy-beta,beta-carotene-4,4-dione;(S)-6-hydroxy-3-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-enyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl)-2,4,4-trimethylcyclohex-2-enone;"

Experimental Data

Trans-astaxanthin

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Drosophila melanogaster	1.000000000000000	mg/g			36.360000000000000				S	Harwich		35301354	Active
Drosophila melanogaster	0.500000000000000	mg/g			36.360000000000000				S	Harwich		35301354	Active

Experimental Data Visualization

Trans-astaxanthin

Statistics Data

Trans-astaxanthin

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Drosophila melanogaster	36.360000000000000		1	2

Statistics Data Visualization

Trans-astaxanthin

Compound Name:

Trans-astaxanthin

Compound CID:

5281224

Synonyms:

Astaxanthin 472-61-7 Ovoester all-trans-Astaxanthin AstaREAL More...

Iupac Name:

(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one

InChI:

InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1

InChIKey:

MQZIGYBFDRPAKN-UWFIBFSHSA-N

Canonical Smiles:

CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C

Isomeric Smiles:

CC1=C(C(C[C@@H](C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C)/C)/C

Molecular Weight:

596.8

Molecular Formula:

C40H52O4

Molecular Weight:

596.8

Molecular Formula:

C40H52O4

Hydrogen Bond Donor Count:

2

Hydrogen Bond Acceptor Count:

4

Rotatable Bond Count:

10

Heavy Atom Count:

44

Complexity:

1340

Astaxanthin

472-61-7

Ovoester

all-trans-Astaxanthin

AstaREAL

3,3-Dihydroxy-beta,beta-carotene-4,4-dione

Astaxanthine

BioAstin

(3S,3S)-Astaxanthin

trans-Astaxanthin

Astaxanthin, (3S,3S)-"

(3S,3S)-all-trans-Astaxanthin

8XPW32PR7I

3,3-Dihydroxy-beta-carotene-4,4-dione

CHEBI:40968

NSC-635689

(6S,6S)-3,3-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(6-hydroxy-2,4,4-trimethylcyclohex-2-enone)"

(3S,3S)-3,3-Dihydroxy-beta,beta-carotene-4,4-dione"

.beta.,.beta.-Carotene-4,4-dione, 3,3-dihydroxy-, (3S,3S)-

Algae Haematococcus pluvialis

Natupink

AstaXin

Carophyll Pink

Lucantin Pink

BioAstin oleoresin

(6S)-6-Hydroxy-3-(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl-2,4,4-trimethyl-1-cyclohex-2-enone

Astaxanthin (6CI)

Astaxanthin, all-trans-

(6S)-6-hydroxy-3-(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl-2,4,4-trimethylcyclohex-2-en-1-one

UNII-8XPW32PR7I

astaxantin

CCRIS 7118

HSDB 7468

(6S)-6-hydroxy-3-(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl-2,4,4-trimethylcyclohex-2-en-1

EINECS 207-451-4

NSC 635689

3S,3S-Astaxanthin"

Astaxanthin, all-trans-, (3S,3S)-

Astaxanthin, 5% active

ASTAXANTHIN MI

b-Carotene-4,4-dione

ASTAXANTHIN HSDB

ASTAXANTHIN INCI

ASTAXANTHIN VANDF

ASTAXANTHIN MART.

SCHEMBL20047

Astaxanthin

472-61-7

Ovoester

all-trans-Astaxanthin

AstaREAL

More...