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A-Nor-2,3-secocholestane-2,3-diol, (5.beta.)-
SpectraBase Compound ID 50eMbia43Mm
InChI InChI=1S/C26H48O2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20(17-28)25(4,15-16-27)24(21)13-14-26(22,23)5/h18-24,27-28H,6-17H2,1-5H3/t19-,20-,21-,22?,23?,24?,25-,26+/m0/s1
InChIKey IVUGQXQBGLGNCR-QXTDZUKISA-N
Mol Weight 392.7 g/mol
Molecular Formula C26H48O2
Exact Mass 392.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqE4xdsUjwO
Name A-Nor-2,3-secocholestane-2,3-diol, (5.beta.)-
CAS Registry Number 16666-71-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H48O2
InChI InChI=1S/C26H48O2/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20(17-28)25(4,15-16-27)24(21)13-14-26(22,23)5/h18-24,27-28H,6-17H2,1-5H3/t19-,20-,21-,22?,23?,24?,25-,26+/m0/s1
InChIKey IVUGQXQBGLGNCR-QXTDZUKISA-N
Molecular Weight 392.668 g/mol
SMILES OCC[C@]1([C@](CO)(CC[C@]2(C3[C@](CCC12)(C(CC3)[C@](CCCC(C)C)(C)[H])C)[H])[H])C
SPLASH splash10-006t-0009000000-fec18f6d0fb3ccfdd688
Source of Spectrum KC-1986-1525-3
Synonyms 2-[(3aR,6R,7R,9aS)-3-[(1S)-1,5-dimethylhexyl]-7-(hydroxymethyl)-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl]ethanol A-nor-2,3-seco-5.alpha.-cholestan-2,3-diol
Wiley ID 1366060