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(22E,24R)-23,24-Dimethyl-cholesta-5,22-dien-3b-ol
SpectraBase Compound ID HTroJR43RGr
InChI InChI=1S/C29H48O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8,16,18,20-21,23-27,30H,9-15,17H2,1-7H3/b19-16+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey SXOOOXJHQQTJJY-UCUGPCMVSA-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 9iW4oopuwEx
Name (22E,24R)-23,24-dimethylcholesta-5,22-dien-3.beta.-ol
Alternate Name(s) (24R)-23,24-dimethylcholesta-(22E)-5,22-dien-3.beta.-ol (3beta,22E)-23-methylergosta-5,22-dien-3-ol (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 81445-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O
InChI InChI=1S/C29H48O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8,16,18,20-21,23-27,30H,9-15,17H2,1-7H3/b19-16+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey SXOOOXJHQQTJJY-UCUGPCMVSA-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@@](C(C)C)(C)[H])C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0h90-0094500000-8dd359c8975b9e748e46
Source of Spectrum KC-1987-1304-37
Wiley ID 1374825