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26,27-Dinorcholest-5-en-3-ol, 23-(2-methylcyclopropyl)-, [3.beta.,23S(1S,2S)]-
SpectraBase Compound ID FdhDGzkjVKP
InChI InChI=1S/C29H48O/c1-6-20(24-16-18(24)2)15-19(3)25-9-10-26-23-8-7-21-17-22(30)11-13-28(21,4)27(23)12-14-29(25,26)5/h7,18-20,22-27,30H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23-,24-,25+,26-,27-,28-,29+/m0/s1
InChIKey AAJHVCTWRPOTGA-AHOUGISTSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cn6aDel9cgK
Name 26,27-Dinorcholest-5-en-3-ol, 23-(2-methylcyclopropyl)-, [3.beta.,23S(1S,2S)]-
Alternate Name(s) (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R,4S)-4-[(1S,2S)-2-methylcyclopropyl]hexan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol (23S,24S,25S)-23-ethyl-24,26-cyclocholest-5-en-3.beta.-ol
CAS Registry Number 114247-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-6-20(24-16-18(24)2)15-19(3)25-9-10-26-23-8-7-21-17-22(30)11-13-28(21,4)27(23)12-14-29(25,26)5/h7,18-20,22-27,30H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23-,24-,25+,26-,27-,28-,29+/m0/s1
InChIKey AAJHVCTWRPOTGA-AHOUGISTSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C[C@@]([C@]1(C[C@@]1(C)[H])[H])(CC)[H])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0w9r-0095100000-7b633831843e172b5658
Source of Spectrum KC-1987-1315-32
Wiley ID 1374827