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(8R,9S,13S,14S)-3-(3-Hydroxy-naphthalen-2-ylmethoxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 7oViv6yRWq0
InChI InChI=1S/C29H30O3/c1-29-13-12-24-23-9-7-22(15-20(23)6-8-25(24)26(29)10-11-28(29)31)32-17-21-14-18-4-2-3-5-19(18)16-27(21)30/h2-5,7,9,14-16,24-26,30H,6,8,10-13,17H2,1H3/t24-,25-,26+,29+/m1/s1
InChIKey BOJHVQRPZAIMQX-JMDODURXSA-N
Mol Weight 426.56 g/mol
Molecular Formula C29H30O3
Exact Mass 426.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rtsqSHWdlo
Name (8R,9S,13S,14S)-3-(3-Hydroxy-naphthalen-2-ylmethoxy)-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one
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Formula C29H30O3
InChI InChI=1S/C29H30O3/c1-29-13-12-24-23-9-7-22(15-20(23)6-8-25(24)26(29)10-11-28(29)31)32-17-21-14-18-4-2-3-5-19(18)16-27(21)30/h2-5,7,9,14-16,24-26,30H,6,8,10-13,17H2,1H3/t24-,25-,26+,29+/m1/s1
InChIKey BOJHVQRPZAIMQX-JMDODURXSA-N
Molecular Weight 426.556 g/mol
SMILES Oc1c(COc2ccc3[C@]4(CC[C@]5([C@]([C@@]4(CCc3c2)[H])(CCC5=O)[H])C)[H])cc2c(cccc2)c1
SPLASH splash10-0a6r-0900400000-dd17a09dc1d4f5ea6011
Source of Spectrum J-73-7614-1e
Synonyms o-((3-Hydroxy-2-naphthalenyl)methyl)estrone
Wiley ID 1711318