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26-Methyl-26-isopropyl-27-norcholesta-5,25(E)-dien-3-.beta.-ol i-methyl ether
SpectraBase Compound ID DHRdYP3vVt2
InChI InChI=1S/C31H52O/c1-21(2)22(3)10-8-9-11-23(4)27-14-15-28-26-13-12-24-20-25(32-7)16-18-30(24,5)29(26)17-19-31(27,28)6/h10,12,21,23,25-29H,8-9,11,13-20H2,1-7H3/b22-10+/t23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey YRLHHQUYDDHTSM-RHILQKRASA-N
Mol Weight 440.8 g/mol
Molecular Formula C31H52O
Exact Mass 440.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tp43nXchhD
Name 26-Methyl-26-isopropyl-27-norcholesta-5,25(E)-dien-3-.beta.-ol i-methyl ether
CAS Registry Number 71883-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O
InChI InChI=1S/C31H52O/c1-21(2)22(3)10-8-9-11-23(4)27-14-15-28-26-13-12-24-20-25(32-7)16-18-30(24,5)29(26)17-19-31(27,28)6/h10,12,21,23,25-29H,8-9,11,13-20H2,1-7H3/b22-10+/t23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey YRLHHQUYDDHTSM-RHILQKRASA-N
Molecular Weight 440.756 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC)(C4)[H])C)[H])(CC[C@@]1([C@@](CCC\C=C\(C(C)C)C)(C)[H])[H])[H])C
SPLASH splash10-0a4i-9211300000-159133e06d388bb72d5b
Source of Spectrum C-113-1390-0
Synonyms (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,6E)-7,8-dimethylnon-6-en-2-yl]-5-methoxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-ene
Wiley ID 1384970