(3S,5S,9R,10R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-17-[(2S,3R)-6-methyl-3,6-bis(oxidanyl)heptan-2-yl]-5,14-bis(oxidanyl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one

Systemtic Name: (3S,5S,9R,10R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-17-[(2S,3R)-6-methyl-3,6-bis(oxidanyl)heptan-2-yl]-5,14-bis(oxidanyl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Openeye Name: (3S,5S,9R,10R,13R,14S,17R)-17-[(1S,2R)-2,5-dihydroxy-1,5-dimethyl-hexyl]-5,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one CAS Name: (3S,5S,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-5,14-dihydroxy-10,13-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one IUPAC Name: (3S,5S,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-5,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Traditional Name: (3S,5S,9R,10R,13R,14S,17R)-17-[(1S,2R)-2,5-dihydroxy-1,5-dimethyl-hexyl]-5,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Formula: C33H54O11 MolecularWeight: 626.77526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(C1(CCC3C2=CC(=O)C4(C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)O)C(CCC(C)(C)O)O

Isomeric SMILES

C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@]4([C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)[C@@H](CCC(C)(C)O)O

InChI

InChI=1S/C33H54O11/c1-17(22(35)9-10-29(2,3)40)19-8-13-32(41)21-14-24(36)33(42)15-18(6-11-31(33,5)20(21)7-12-30(19,32)4)43-28-27(39)26(38)25(37)23(16-34)44-28/h14,17-20,22-23,25-28,34-35,37-42H,6-13,15-16H2,1-5H3/t17-,18-,19+,20-,22+,23+,25+,26-,27+,28+,30+,31+,32+,33+/m0/s1