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5, 22-Cholestadien-24b-ethyl-3b-ol
SpectraBase Compound ID RCvg3wZ1Rn
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey HCXVJBMSMIARIN-PHZDYDNGSA-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 EcfKSOqeroR
Name STIGMASTA-5,20(22)-DIEN-3-OL
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 412.370516165 u
Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey HCXVJBMSMIARIN-PHZDYDNGSA-N
Molecular Weight 412.702 g/mol
Nominal Mass 412 u
Number of Peaks 364
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])([C@](C)(\C=C\[C@](C(C)C)(CC)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0bu0-6952100000-bf3e0e96ce71d96647fc
Source File Reference LMCM-25337-261T
Synonyms 24S-Ethyl-5,22-cholestadien-3.beta.-ol STIGMASTERIN (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol
Wiley ID 8_5792