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(4a.beta.,9.beta.,10.alpha.,10a.beta.)-(+-)-1,2,3,4,4a,9,10,10a-octahydro-10,10a-dihydroxy-10-(phenylethynyl)-9-(2-propenyl)phenanthrene
SpectraBase Compound ID 5O37IZPfUeu
InChI InChI=1S/C25H26O2/c1-2-10-22-20-13-6-7-14-21(20)23-15-8-9-17-24(23,26)25(22,27)18-16-19-11-4-3-5-12-19/h2-7,11-14,22-23,26-27H,1,8-10,15,17H2/t22-,23-,24+,25-/m0/s1
InChIKey DQAASRJDMUYZST-JBXUNAHCSA-N
Mol Weight 358.48 g/mol
Molecular Formula C25H26O2
Exact Mass 358.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GA1M8hHLl4G
Name (4a.beta.,9.beta.,10.alpha.,10a.beta.)-(+-)-1,2,3,4,4a,9,10,10a-octahydro-10,10a-dihydroxy-10-(phenylethynyl)-9-(2-propenyl)phenanthrene
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Formula C25H26O2
InChI InChI=1S/C25H26O2/c1-2-10-22-20-13-6-7-14-21(20)23-15-8-9-17-24(23,26)25(22,27)18-16-19-11-4-3-5-12-19/h2-7,11-14,22-23,26-27H,1,8-10,15,17H2/t22-,23-,24+,25-/m0/s1
InChIKey DQAASRJDMUYZST-JBXUNAHCSA-N
Molecular Weight 358.481 g/mol
SMILES O[C@]12[C@@]([C@](c3c([C@@]2(CCCC1)[H])cccc3)(CC=C)[H])(C#Cc1ccccc1)O
SPLASH splash10-0kdi-0903000000-c54c618c526d0e53ada5
Source of Spectrum F-49-10349-6
Synonyms (4a.alpha.,10.alpha.,10a.alpha.)-(+-)-1,2,3,4,4a,9,10,10a-octahydro-10,10a-dihydroxy-10-(phenylethynyl)-9-(2-propenyl)phenanthrene (4bS,8aR,9R,10S)-10-allyl-9-(phenylethynyl)-5,6,7,8,9,10-hexahydro-8a,9(4bH)-phenanthrenediol
Wiley ID 788713