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

Systemtic Name: 3-[(3S,5S,10S,13R,14S,17R)-10,13-dimethyl-3-[(2R,5R)-6-[[(3R,6S)-2-methyl-4,5,6-tris(oxidanyl)oxan-3-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Openeye Name: 3-[(3S,5S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,5R)-3,4,5-trihydroxy-6-[[(3R,6S)-4,5,6-trihydroxy-2-methyl-tetrahydropyran-3-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one CAS Name: 3-[(3S,5S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[[(2R,5R)-3,4,5-trihydroxy-6-[[(3R,6S)-4,5,6-trihydroxy-2-methyl-3-oxanyl]oxymethyl]-2-oxanyl]oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one IUPAC Name: 3-[(3S,5S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,5R)-3,4,5-trihydroxy-6-[[(3R,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Traditional Name: 3-[(3S,5S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,5R)-3,4,5-trihydroxy-6-[[(3R,6S)-4,5,6-trihydroxy-2-methyl-tetrahydropyran-3-yl]oxymethyl]tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Formula: C35H54O13 MolecularWeight: 682.79546

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)O)O)O)OCC2C(C(C(C(O2)OC3CCC4(C(C3)CCC5C4CCC6(C5(CCC6C7=CC(=O)OC7)O)C)C)O)O)O

Isomeric SMILES

CC1[C@@H](C(C([C@H](O1)O)O)O)OCC2[C@@H](C(C([C@@H](O2)O[C@H]3CC[C@]4([C@H](C3)CCC5C4CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)C)O)O)O

InChI

InChI=1S/C35H54O13/c1-16-30(27(39)28(40)31(42)46-16)45-15-23-25(37)26(38)29(41)32(48-23)47-19-6-9-33(2)18(13-19)4-5-22-21(33)7-10-34(3)20(8-11-35(22,34)43)17-12-24(36)44-14-17/h12,16,18-23,25-32,37-43H,4-11,13-15H2,1-3H3/t16?,18-,19-,20+,21?,22?,23?,25-,26?,27?,28?,29?,30-,31-,32+,33-,34+,35-/m0/s1