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1alpha-hydroxyallobetul-2-ene
SpectraBase Compound ID pAGxQmPU27
InChI InChI=1S/C30H48O2/c1-25(2)12-11-22(31)29(7)20(25)10-13-28(6)21(29)9-8-19-23-24-26(3,4)14-16-30(23,18-32-24)17-15-27(19,28)5/h11-12,19-24,31H,8-10,13-18H2,1-7H3/t19?,20?,21?,22-,23?,24+,27?,28?,29?,30+/m0/s1
InChIKey WQOTUHGHCGDQDM-TUQNCHDXSA-N
Mol Weight 440.7 g/mol
Molecular Formula C30H48O2
Exact Mass 440.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJcOkLehAmp
Name 1alpha-hydroxyallobetul-2-ene
Alternate Name(s) (12S)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.0(1,18).0(4,17).0(5,14).0(8,13)]tetracos-10-en-12-ol 1.alpha.-hydroxyallobetul-2-ene
CAS Registry Number 2652-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O2
InChI InChI=1S/C30H48O2/c1-25(2)12-11-22(31)29(7)20(25)10-13-28(6)21(29)9-8-19-23-24-26(3,4)14-16-30(23,18-32-24)17-15-27(19,28)5/h11-12,19-24,31H,8-10,13-18H2,1-7H3/t19?,20?,21?,22-,23?,24+,27?,28?,29?,30+/m0/s1
InChIKey WQOTUHGHCGDQDM-TUQNCHDXSA-N
Molecular Weight 440.712 g/mol
SMILES O[C@]1(C=CC(C2CCC3(C4(C(C5[C@]6(OC[C@]5(CC4)CCC6(C)C)[H])CCC3C12C)C)C)(C)C)[H]
SPLASH splash10-007t-7923800000-cadb351d2829f83badb4
Source of Spectrum W5-1989-10322-1
Wiley ID 1384919