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24-Nor-5beta-chol-20(22)-ene-3alpha,7alpha-diol Diacetate
SpectraBase Compound ID GQvXMphSeT9
InChI InChI=1S/C27H42O4/c1-7-16(2)21-8-9-22-25-23(11-13-27(21,22)6)26(5)12-10-20(30-17(3)28)14-19(26)15-24(25)31-18(4)29/h7,19-25H,8-15H2,1-6H3/b16-7-/t19-,20+,21+,22-,23-,24+,25-,26-,27+/m0/s1
InChIKey PDQCQLLQSJVBTQ-PJPNGOEBSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ls6OVJ9bAI
Name 24-Nor-5beta-chol-20(22)-ene-3alpha,7alpha-diol Diacetate
Alternate Name(s) (3R,5S,7R,8R,9S,10S,13S,14S,17R)-17-((Z)-but-2-en-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diyl diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-7-16(2)21-8-9-22-25-23(11-13-27(21,22)6)26(5)12-10-20(30-17(3)28)14-19(26)15-24(25)31-18(4)29/h7,19-25H,8-15H2,1-6H3/b16-7-/t19-,20+,21+,22-,23-,24+,25-,26-,27+/m0/s1
InChIKey PDQCQLLQSJVBTQ-PJPNGOEBSA-N
Literature Reference DOI 10.1002/hlca.19860690810
Molecular Weight 430.629 g/mol
SMILES C1C[C@]2([C@@](C[C@@]1(OC(C)=O)[H])(C[C@]([C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(\C(C)=C/C)[H])[H])C)[H])[H])(OC(C)=O)[H])[H])C
SPLASH splash10-0006-9001000000-d85ad60e8b0f7681feb5
Source of Spectrum H-69-1848-3b
Wiley ID 1794928