(4aR,4bR,12aS)-12a-ethyl-8-methoxy-4a-oxidanyl-3,4,4b,5,6,12-hexahydro-2H-chrysen-1-one

Systemtic Name: (4aR,4bR,12aS)-12a-ethyl-8-methoxy-4a-oxidanyl-3,4,4b,5,6,12-hexahydro-2H-chrysen-1-one Openeye Name: (4aR,4bR,12aS)-12a-ethyl-4a-hydroxy-8-methoxy-3,4,4b,5,6,12-hexahydro-2H-chrysen-1-one CAS Name: (4aR,4bR,12aS)-12a-ethyl-4a-hydroxy-8-methoxy-3,4,4b,5,6,12-hexahydro-2H-chrysen-1-one IUPAC Name: (4aR,4bR,12aS)-12a-ethyl-4a-hydroxy-8-methoxy-3,4,4b,5,6,12-hexahydro-2H-chrysen-1-one Traditional Name: (4aR,4bR,12aS)-12a-ethyl-4a-hydroxy-8-methoxy-3,4,4b,5,6,12-hexahydro-2H-chrysen-1-one Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC=C3C(C1(CCCC2=O)O)CCC4=C3C=CC(=C4)OC

Isomeric SMILES

CC[C@]12CC=C3[C@H]([C@@]1(CCCC2=O)O)CCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H26O3/c1-3-20-12-10-17-16-8-7-15(24-2)13-14(16)6-9-18(17)21(20,23)11-4-5-19(20)22/h7-8,10,13,18,23H,3-6,9,11-12H2,1-2H3/t18-,20-,21-/m1/s1