(3S,8S,9R,10R,13R,14S,17R)-17-[(2S)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,5-bis(oxidanyl)heptan-2-yl]-4,4,9,13,14-pentamethyl-3-oxidanyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one

Systemtic Name: (3S,8S,9R,10R,13R,14S,17R)-17-[(2S)-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,5-bis(oxidanyl)heptan-2-yl]-4,4,9,13,14-pentamethyl-3-oxidanyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one Openeye Name: (3S,8S,9R,10R,13R,14S,17R)-17-[(1S)-2,4-dihydroxy-1,5-dimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexyl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one CAS Name: (3S,8S,9R,10R,13R,14S,17R)-17-[(2S)-3,5-dihydroxy-6-methyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]heptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one IUPAC Name: (3S,8S,9R,10R,13R,14S,17R)-17-[(2S)-3,5-dihydroxy-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one Traditional Name: (3S,8S,9R,10R,13R,14S,17R)-17-[(1S)-2,4-dihydroxy-1,5-dimethyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexyl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one Formula: C36H60O10 MolecularWeight: 652.8556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(C1(CC(=O)C3(C2CC=C4C3CCC(C4(C)C)O)C)C)C)C(CC(C(C)(C)OC5C(C(C(C(O5)CO)O)O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C36H60O10/c1-18(22(38)15-26(40)33(4,5)46-31-30(44)29(43)28(42)23(17-37)45-31)19-13-14-34(6)24-11-9-20-21(10-12-25(39)32(20,2)3)36(24,8)27(41)16-35(19,34)7/h9,18-19,21-26,28-31,37-40,42-44H,10-17H2,1-8H3/t18-,19+,21+,22?,23+,24-,25-,26?,28+,29-,30+,31-,34-,35+,36-/m0/s1