(2S,4aS)-6-methoxy-1,1,4a-trimethyl-2-phenylsulfanyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Systemtic Name: (2S,4aS)-6-methoxy-1,1,4a-trimethyl-2-phenylsulfanyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Openeye Name: (2S,4aS)-7-isopropyl-6-methoxy-1,1,4a-trimethyl-2-phenylsulfanyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one CAS Name: (2S,4aS)-6-methoxy-1,1,4a-trimethyl-2-(phenylthio)-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one IUPAC Name: (2S,4aS)-6-methoxy-1,1,4a-trimethyl-2-phenylsulfanyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Traditional Name: (2S,4aS)-7-isopropyl-6-methoxy-1,1,4a-trimethyl-2-(phenylthio)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Formula: C27H34O2S MolecularWeight: 422.62266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCC(C3(C)C)SC4=CC=CC=C4)C)OC

Isomeric SMILES

CC(C)C1=C(C=C2C(=C1)C(=O)CC3[C@@]2(CC[C@@H](C3(C)C)SC4=CC=CC=C4)C)OC

InChI

InChI=1S/C27H34O2S/c1-17(2)19-14-20-21(15-23(19)29-6)27(5)13-12-25(30-18-10-8-7-9-11-18)26(3,4)24(27)16-22(20)28/h7-11,14-15,17,24-25H,12-13,16H2,1-6H3/t24?,25-,27+/m0/s1