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(R)-2-bromo-2-((1aS,1bR,3aR,5S,7bR,9aR)-1a,5,7b-trimethyl-1a,1b,2,3,3a,4,5,6,7b,8,9,9a-dodecahydro-1H-cyclopropa[a]phenanthren-5-yl)ethanol

View entire compound with spectra: 1 MS (GC)

(R)-2-bromo-2-((1aS,1bR,3aR,5S,7bR,9aR)-1a,5,7b-trimethyl-1a,1b,2,3,3a,4,5,6,7b,8,9,9a-dodecahydro-1H-cyclopropa[a]phenanthren-5-yl)ethanol
SpectraBase Compound ID 40FEdMHMadC
InChI InChI=1S/C20H31BrO/c1-18(17(21)12-22)8-7-15-13(10-18)4-5-16-19(15,2)9-6-14-11-20(14,16)3/h7,13-14,16-17,22H,4-6,8-12H2,1-3H3/t13-,14-,16+,17+,18+,19+,20+/m1/s1
InChIKey IGLAYEXSNKYXCA-ABSCDVGOSA-N
Mol Weight 367.37 g/mol
Molecular Formula C20H31BrO
Exact Mass 366.155829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImwWTlByNVy
Name (R)-2-bromo-2-((1aS,1bR,3aR,5S,7bR,9aR)-1a,5,7b-trimethyl-1a,1b,2,3,3a,4,5,6,7b,8,9,9a-dodecahydro-1H-cyclopropa[a]phenanthren-5-yl)ethanol
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Formula C20H31BrO
InChI InChI=1S/C20H31BrO/c1-18(17(21)12-22)8-7-15-13(10-18)4-5-16-19(15,2)9-6-14-11-20(14,16)3/h7,13-14,16-17,22H,4-6,8-12H2,1-3H3/t13-,14-,16+,17+,18+,19+,20+/m1/s1
InChIKey IGLAYEXSNKYXCA-ABSCDVGOSA-N
Molecular Weight 367.371 g/mol
SMILES OC[C@@]([C@@]1(C[C@]2(CC[C@@]3([C@@]4([C@](CC[C@]3(C2=CC1)C)(C4)[H])C)[H])[H])C)(Br)[H]
SPLASH splash10-114l-5619000000-1d6d476f48442dd2eafc
Source of Spectrum Ekaterina G. Lyakhova, et al. Phytochemistry, V.65, 2004, P.2527-2532
Synonyms (R)-2-bromo-2-((1aS,1bR,3aR,5S,7bR,9aR)-1a,5,7b-trimethyl-1a,1b,2,3,3a,4,5,6,7b,8,9,9a-dodecahydro-1H-cyclopropa[a]phenanthren-5-yl)ethan-1-ol
Wiley ID 1817352