(3S,4aS,6aR,6bS,9R,11aS,11bR)-9-[(1R)-1-[(2R,3R,5R)-1,5-dimethyl-3-oxidanyl-piperidin-2-yl]ethyl]-10,11b-dimethyl-3-oxidanyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one

Systemtic Name: (3S,4aS,6aR,6bS,9R,11aS,11bR)-9-[(1R)-1-[(2R,3R,5R)-1,5-dimethyl-3-oxidanyl-piperidin-2-yl]ethyl]-10,11b-dimethyl-3-oxidanyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one Openeye Name: (3S,4aS,6aR,6bS,9R,11aS,11bR)-3-hydroxy-9-[(1R)-1-[(2R,3R,5R)-3-hydroxy-1,5-dimethyl-2-piperidyl]ethyl]-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one CAS Name: (3S,4aS,6aR,6bS,9R,11aS,11bR)-3-hydroxy-9-[(1R)-1-[(2R,3R,5R)-3-hydroxy-1,5-dimethyl-2-piperidinyl]ethyl]-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one IUPAC Name: (3S,4aS,6aR,6bS,9R,11aS,11bR)-3-hydroxy-9-[(1R)-1-[(2R,3R,5R)-3-hydroxy-1,5-dimethylpiperidin-2-yl]ethyl]-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one Traditional Name: (3S,4aS,6aR,6bS,9R,11aS,11bR)-3-hydroxy-9-[(1R)-1-[(2R,3R,5R)-3-hydroxy-1,5-dimethyl-2-piperidyl]ethyl]-10,11b-dimethyl-2,3,4,4a,6,6a,6b,7,8,9,11,11a-dodecahydro-1H-benzo[a]fluoren-5-one Formula: C28H45NO3 MolecularWeight: 443.6618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(N(C1)C)C(C)C2CCC3C4CC(=O)C5CC(CCC5(C4CC3=C2C)C)O)O

Isomeric SMILES

C[C@@H]1C[C@H]([C@H](N(C1)C)[C@H](C)[C@H]2CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@H](CC[C@@]5([C@H]4CC3=C2C)C)O)O

InChI

InChI=1S/C28H45NO3/c1-15-10-26(32)27(29(5)14-15)17(3)19-6-7-20-21(16(19)2)12-23-22(20)13-25(31)24-11-18(30)8-9-28(23,24)4/h15,17-20,22-24,26-27,30,32H,6-14H2,1-5H3/t15-,17-,18+,19+,20-,22+,23+,24-,26-,27-,28-/m1/s1