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

Systemtic Name: (1R,2R,3R,5S,10S,13R,14S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-1,2,3,14-tetrakis(oxidanyl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Openeye Name: (1R,2R,3R,5S,10S,13R,14S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-5-[(2S,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: (1R,2R,3R,5S,10S,13R,14S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one IUPAC Name: (1R,2R,3R,5S,10S,13R,14S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one Traditional Name: (1R,2R,3R,5S,10S,13R,14S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-5-[(2S,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: C33H54O14 MolecularWeight: 674.77346

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(=CC(=O)C4(C3(C(C(C(C4)O)O)O)C)OC5C(C(C(C(O5)CO)O)O)O)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O

Isomeric SMILES

C[C@]12CCC3C(=CC(=O)[C@]4([C@@]3([C@H]([C@@H]([C@@H](C4)O)O)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[C@@]1(CCC2[C@](C)([C@@H](CCC(C)(C)O)O)O)O

InChI

InChI=1S/C33H54O14/c1-28(2,43)9-8-20(36)31(5,44)19-7-11-32(45)16-12-21(37)33(47-27-25(41)24(40)23(39)18(14-34)46-27)13-17(35)22(38)26(42)30(33,4)15(16)6-10-29(19,32)3/h12,15,17-20,22-27,34-36,38-45H,6-11,13-14H2,1-5H3/t15?,17-,18-,19?,20-,22-,23-,24+,25-,26+,27+,29-,30+,31-,32-,33-/m1/s1