Compound Name: | momordicoside F2 |
Compound CID: | 44445567 |
Synonyms: | momordicoside F2
CHEMBL245260
3beta-(beta-D-Allopyranosyloxy)-5,19-epoxy-5beta-cucurbita-6,23-diene-25-ol
81348-82-5
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Iupac Name: | (2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol |
InChI: | InChI=1S/C36H58O8/c1-21(9-8-14-31(2,3)41)22-12-15-34(7)24-13-16-36-25(35(24,20-42-36)18-17-33(22,34)6)10-11-26(32(36,4)5)44-30-29(40)28(39)27(38)23(19-37)43-30/h8,13-14,16,21-30,37-41H,9-12,15,17-20H2,1-7H3/b14-8+/t21-,22-,23-,24+,25+,26+,27-,28-,29-,30+,33-,34+,35+,36-/m1/s1 |
InChIKey: | KJEYALWPYVKAPR-YBZIVOIYSA-N |
Canonical Smiles: | CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)OC4)C)C |
Isomeric Smiles: | C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@]5([C@H]3CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)OC4)C)C |
Molecular Weight: | 618.8 |
Molecular Formula: | C36H58O8 |