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(13S,16S,17S)-16-(7-bromoheptyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol

View entire compound with spectra: 1 MS (GC)

(13S,16S,17S)-16-(7-bromoheptyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
SpectraBase Compound ID LNYRh3YSA3O
InChI InChI=1S/C26H39BrO2/c1-26-14-13-22-21-12-10-20(29-2)16-18(21)9-11-23(22)24(26)17-19(25(26)28)8-6-4-3-5-7-15-27/h10,12,16,19,22-25,28H,3-9,11,13-15,17H2,1-2H3/t19-,22?,23?,24?,25-,26-/m0/s1
InChIKey XJXXHHKQVDTIJG-AVFIQKSOSA-N
Mol Weight 463.5 g/mol
Molecular Formula C26H39BrO2
Exact Mass 462.213343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qnyYTIYOKT
Name (13S,16S,17S)-16-(7-bromoheptyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
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Formula C26H39BrO2
InChI InChI=1S/C26H39BrO2/c1-26-14-13-22-21-12-10-20(29-2)16-18(21)9-11-23(22)24(26)17-19(25(26)28)8-6-4-3-5-7-15-27/h10,12,16,19,22-25,28H,3-9,11,13-15,17H2,1-2H3/t19-,22?,23?,24?,25-,26-/m0/s1
InChIKey XJXXHHKQVDTIJG-AVFIQKSOSA-N
Molecular Weight 463.500 g/mol
SMILES O[C@@]1([C@@]2(C(C3CCc4c(C3CC2)ccc(OC)c4)C[C@@]1(CCCCCCCBr)[H])C)[H]
SPLASH splash10-03di-0620900000-e8d3cbad218847a131cb
Source of Spectrum G2-3-520-32b
Synonyms 7-[3'-methoxy-17'.beta.-hydroxy-1',3',5'(10')-estratrien-16'.beta.-yl]bromoheptane 7-[3-methoxy-17.beta.-hydroxy-1,3,5(10)-estratrien-16.beta.-yl]bromoheptane
Wiley ID 1661450