(3S,4aR,6aR,11aR,11bS)-9-ethynyl-8-methoxy-4,4,6a,10,11b-pentamethyl-3-oxidanyl-2,3,4a,5,11,11a-hexahydro-1H-benzo[a]fluoren-6-one

Systemtic Name: (3S,4aR,6aR,11aR,11bS)-9-ethynyl-8-methoxy-4,4,6a,10,11b-pentamethyl-3-oxidanyl-2,3,4a,5,11,11a-hexahydro-1H-benzo[a]fluoren-6-one Openeye Name: (3S,4aR,6aR,11aR,11bS)-9-ethynyl-3-hydroxy-8-methoxy-4,4,6a,10,11b-pentamethyl-2,3,4a,5,11,11a-hexahydro-1H-benzo[a]fluoren-6-one CAS Name: (3S,4aR,6aR,11aR,11bS)-9-ethynyl-3-hydroxy-8-methoxy-4,4,6a,10,11b-pentamethyl-2,3,4a,5,11,11a-hexahydro-1H-benzo[a]fluoren-6-one IUPAC Name: (3S,4aR,6aR,11aR,11bS)-9-ethynyl-3-hydroxy-8-methoxy-4,4,6a,10,11b-pentamethyl-2,3,4a,5,11,11a-hexahydro-1H-benzo[a]fluoren-6-one Traditional Name: (3S,4aR,6aR,11aR,11bS)-9-ethynyl-3-hydroxy-8-methoxy-4,4,6a,10,11b-pentamethyl-2,3,4a,5,11,11a-hexahydro-1H-benzo[a]fluoren-6-one Formula: C25H32O3 MolecularWeight: 380.51978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC3C4(CCC(C(C4CC(=O)C3(C2=CC(=C1C#C)OC)C)(C)C)O)C

Isomeric SMILES

CC1=C2C[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC(=O)[C@]3(C2=CC(=C1C#C)OC)C)(C)C)O)C

InChI

InChI=1S/C25H32O3/c1-8-15-14(2)16-11-20-24(5)10-9-21(26)23(3,4)19(24)13-22(27)25(20,6)17(16)12-18(15)28-7/h1,12,19-21,26H,9-11,13H2,2-7H3/t19-,20+,21-,24-,25-/m0/s1