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(13S,16R,17S)-16-(4-hydroxybutyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
SpectraBase Compound ID 2mpr6XpPwFR
InChI InChI=1S/C23H34O3/c1-23-11-10-19-18-9-7-17(26-2)13-15(18)6-8-20(19)21(23)14-16(22(23)25)5-3-4-12-24/h7,9,13,16,19-22,24-25H,3-6,8,10-12,14H2,1-2H3/t16-,19?,20?,21?,22+,23+/m1/s1
InChIKey BEVUOPWIBWDRRH-IJAIRXEKSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQkDMDkayJC
Name (13S,16R,17S)-16-(4-hydroxybutyl)-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 C23H34O3
InChI InChI=1S/C23H34O3/c1-23-11-10-19-18-9-7-17(26-2)13-15(18)6-8-20(19)21(23)14-16(22(23)25)5-3-4-12-24/h7,9,13,16,19-22,24-25H,3-6,8,10-12,14H2,1-2H3/t16-,19?,20?,21?,22+,23+/m1/s1
InChIKey BEVUOPWIBWDRRH-IJAIRXEKSA-N
Molecular Weight 358.522 g/mol
SMILES O[C@]1([C@](CCCCO)(CC2[C@@]1(CCC1c3c(CCC21)cc(cc3)OC)C)[H])[H]
SPLASH splash10-0a4i-0219000000-6f00b9ba47f12654a160
Source of Spectrum G2-3-516-15a
Synonyms 4-[3'-Methoxy-17'.beta.-hydroxy-1',3',5'(10')-estratrien-16'-.alpha.-yl]butanol 4-[3-Methoxy-17.beta.-hydroxy-1,3,5(10)-estratrien-16-.alpha.-yl]butanol
Wiley ID 1661467