(8R,9S,13S,14S,17R)-17-[(E)-2-bromanylethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

Systemtic Name: (8R,9S,13S,14S,17R)-17-[(E)-2-bromanylethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol Openeye Name: (8R,9S,13S,14S,17R)-17-[(E)-2-bromovinyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol CAS Name: (8R,9S,13S,14S,17R)-17-[(E)-2-bromoethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol IUPAC Name: (8R,9S,13S,14S,17R)-17-[(E)-2-bromoethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol Traditional Name: (8R,9S,13S,14S,17R)-17-[(E)-2-bromovinyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol Formula: C21H27BrO2 MolecularWeight: 391.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C=CBr)O)CCC4=C3C=CC(=C4)OC

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(/C=C/Br)O)CCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H27BrO2/c1-20-9-7-17-16-6-4-15(24-2)13-14(16)3-5-18(17)19(20)8-10-21(20,23)11-12-22/h4,6,11-13,17-19,23H,3,5,7-10H2,1-2H3/b12-11+/t17-,18-,19+,20+,21-/m1/s1