[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-5-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(2S,3S,4S,5S,6R)-5-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(2S,3S,4S,5S,6R)-5-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-3-oxanyl]oxy]-6-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(2S,3S,4S,5S,6R)-5-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(2S,3S,4S,5S,6R)-5-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3-yl] ester Formula: C38H58O14 MolecularWeight: 738.85872

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)OC(=O)C

InChI

InChI=1S/C38H58O14/c1-18-31(52-35-33(49-19(2)40)29(43)28(42)26(16-39)51-35)32(46-5)30(44)34(48-18)50-22-8-11-36(3)21(15-22)6-7-25-24(36)9-12-37(4)23(10-13-38(25,37)45)20-14-27(41)47-17-20/h14,18,21-26,28-35,39,42-45H,6-13,15-17H2,1-5H3/t18-,21+,22-,23+,24-,25+,26+,28+,29-,30-,31-,32-,33+,34-,35-,36-,37+,38-/m0/s1