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26,27-Dinorcholesta-5,23-dien-22,22-D2-3-ol, 24-(2-methylpropyl)-, (3.beta.,23Z)-
SpectraBase Compound ID CeYssHqYOLF
InChI InChI=1S/C29H48O/c1-19(2)17-20(3)7-8-21(4)25-11-12-26-24-10-9-22-18-23(30)13-15-28(22,5)27(24)14-16-29(25,26)6/h7,9,19,21,23-27,30H,8,10-18H2,1-6H3/b20-7+/t21-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i8D2
InChIKey ATDDSJXGKFRVJS-VYYMAIIQSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H462D2O
Exact Mass 414.38307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvqrScJ3mWV
Name 26,27-Dinorcholesta-5,23-dien-22,22-D2-3-ol, 24-(2-methylpropyl)-, (3.beta.,23Z)-
Alternate Name(s) (E)-22,22-Dideuterio-24-methyl-26,26-dimethyl-27-norcholesta-5,23-dien-3.beta.-ol (Z)-22,22-Dideuterio-24-methyl-26,2-dimethyl-27-norcholesta-5,23-dien-3.beta.-ol
CAS Registry Number 91229-11-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46D2O
InChI InChI=1S/C29H48O/c1-19(2)17-20(3)7-8-21(4)25-11-12-26-24-10-9-22-18-23(30)13-15-28(22,5)27(24)14-16-29(25,26)6/h7,9,19,21,23-27,30H,8,10-18H2,1-6H3/b20-7+/t21-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i8D2
InChIKey ATDDSJXGKFRVJS-VYYMAIIQSA-N
Molecular Weight 414.714 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\(CC(C)C)C)([2D])[2D])(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0a4i-9031000000-5c30a3b21feacc7023db
Source of Spectrum C-106-5622-0
Wiley ID 133873