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5.beta.-chola-1,7-dien-3.beta.,24-diol
SpectraBase Compound ID 2DdF6p15IzL
InChI InChI=1S/C24H38O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h7,10,12,16-18,20-22,25-26H,4-6,8-9,11,13-15H2,1-3H3/t16-,17-,18+,20?,21?,22?,23+,24-/m1/s1
InChIKey ATZOXJCRZGMDEK-FONHKJDCSA-N
Mol Weight 358.6 g/mol
Molecular Formula C24H38O2
Exact Mass 358.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gTOc4rLCBS
Name 5.beta.-chola-1,7-dien-3.beta.,24-diol
Alternate Name(s) (3beta,5beta)-chola-1,7-diene-3,24-diol (3R,5R,10R,13R)-17-((R)-4-Hydroxy-1-methyl-butyl)-10,13-dimethyl-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-ol
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Formula C24H38O2
InChI InChI=1S/C24H38O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h7,10,12,16-18,20-22,25-26H,4-6,8-9,11,13-15H2,1-3H3/t16-,17-,18+,20?,21?,22?,23+,24-/m1/s1
InChIKey ATZOXJCRZGMDEK-FONHKJDCSA-N
Molecular Weight 358.566 g/mol
SMILES OCCC[C@](C1[C@@]2(C(C3=CC[C@@]4(C[C@](C=C[C@@]4(C3CC2)C)(O)[H])[H])CC1)C)(C)[H]
SPLASH splash10-002f-0179000000-cb9c69f09cf8332ad18d
Source of Spectrum F-49-2495-21
Wiley ID 1347478