(4aS,4bR,10bS,12aS)-9-bromanyl-12a-ethyl-8-oxidanyl-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-one

Systemtic Name: (4aS,4bR,10bS,12aS)-9-bromanyl-12a-ethyl-8-oxidanyl-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-one Openeye Name: (4aS,4bR,10bS,12aS)-9-bromo-12a-ethyl-8-hydroxy-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-one CAS Name: (4aS,4bR,10bS,12aS)-9-bromo-12a-ethyl-8-hydroxy-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-one IUPAC Name: (4aS,4bR,10bS,12aS)-9-bromo-12a-ethyl-8-hydroxy-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-one Traditional Name: (4aS,4bR,10bS,12aS)-9-bromo-12a-ethyl-8-hydroxy-2,3,4,4a,4b,5,6,10b,11,12-decahydrochrysen-1-one Formula: C20H25BrO2 MolecularWeight: 377.3153

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1CCCC2=O)CCC4=CC(=C(C=C34)Br)O

Isomeric SMILES

CC[C@]12CC[C@H]3[C@H]([C@@H]1CCCC2=O)CCC4=CC(=C(C=C34)Br)O

InChI

InChI=1S/C20H25BrO2/c1-2-20-9-8-13-14(16(20)4-3-5-19(20)23)7-6-12-10-18(22)17(21)11-15(12)13/h10-11,13-14,16,22H,2-9H2,1H3/t13-,14+,16-,20-/m0/s1