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A-Homocholest-4a-en-3-ol, (3.beta.)-
SpectraBase Compound ID CqwdKMQ7tLM
InChI InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)24-13-14-25-23-12-10-21-9-11-22(29)15-17-27(21,4)26(23)16-18-28(24,25)5/h9,19-20,22-26,29H,6-8,10-18H2,1-5H3/t20-,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey SFVATUWMYCEMTF-BTGNDISDSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiNBtUusi
Name A-Homocholest-4a-en-3-ol, (3.beta.)-
Alternate Name(s) (1R,3aS,3bS,8S,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-1,2,3,3a,3b,4,5,7,8,9,10,10a,10b,11,12,12a-hexadecahydrocyclohepta[a]cyclopenta[f]naphthalen-8-ol A-homo-4a-cholesten-3-one A-homocholest-4a-en-3.beta.-ol Cyclohepta[a]cyclopenta[f]naphthalene, a-homocholest-4a-en-3-ol deriv.
CAS Registry Number 15184-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/c1-19(2)7-6-8-20(3)24-13-14-25-23-12-10-21-9-11-22(29)15-17-27(21,4)26(23)16-18-28(24,25)5/h9,19-20,22-26,29H,6-8,10-18H2,1-5H3/t20-,22-,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey SFVATUWMYCEMTF-BTGNDISDSA-N
Molecular Weight 400.691 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2=CC1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-053v-9102100000-6169434996d3e70bd7fc
Source of Spectrum KC-1981-2967-0
Wiley ID 1369808