(1R,3aR,5aR,5bR,7aR,11R,11aS,11bS,12R,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-11,12-bis(oxidanyl)-1-(2-oxidanylpropan-2-yl)-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

Systemtic Name: (1R,3aR,5aR,5bR,7aR,11R,11aS,11bS,12R,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-11,12-bis(oxidanyl)-1-(2-oxidanylpropan-2-yl)-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one Openeye Name: (1R,3aR,5aR,5bR,7aR,11R,11aS,11bS,12R,13aR,13bS)-11,12-dihydroxy-1-(1-hydroxy-1-methyl-ethyl)-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one CAS Name: (1R,3aR,5aR,5bR,7aR,11R,11aS,11bS,12R,13aR,13bS)-11,12-dihydroxy-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one IUPAC Name: (1R,3aR,5aR,5bR,7aR,11R,11aS,11bS,12R,13aR,13bS)-11,12-dihydroxy-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one Traditional Name: (1R,3aR,5aR,5bR,7aR,11R,11aS,11bS,12R,13aR,13bS)-11,12-dihydroxy-1-(1-hydroxy-1-methyl-ethyl)-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one Formula: C30H50O4 MolecularWeight: 474.7156

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(C(CC1=O)O)C)C(CC4C3(CCC5(C4C(CC5)C(C)(C)O)C)C)O)C)C

Isomeric SMILES

C[C@]12CC[C@H]([C@@H]1[C@H]3C[C@H]([C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@@H](CC(=O)C5(C)C)O)C)C)O)C(C)(C)O

InChI

InChI=1S/C30H50O4/c1-25(2)20-10-12-29(7)24(30(20,8)22(33)16-21(25)32)19(31)15-18-23-17(26(3,4)34)9-11-27(23,5)13-14-28(18,29)6/h17-20,22-24,31,33-34H,9-16H2,1-8H3/t17-,18-,19-,20+,22-,23-,24+,27-,28-,29-,30-/m1/s1