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Betuline
SpectraBase Compound ID aJUWmEhW9q
InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3
InChIKey FVWJYYTZTCVBKE-UHFFFAOYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GdRPMfBu37
Name Betulinol
CAS Registry Number 473-98-3
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 442.381080848 u
Formula C30H50O2
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3
InChIKey FVWJYYTZTCVBKE-UHFFFAOYSA-N
Molecular Weight 442.728 g/mol
Nominal Mass 442 u
Number of Peaks 136
SMILES OC1C(C2C(C3C(C4(C(C5C(CO)(CC4)CCC5C(C)=C)CC3)C)(CC2)C)(CC1)C)(C)C
SPLASH splash10-053m-6910000000-7adf77b77f09cc69cf5a
Source Sigma-Aldrich
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms Lup-20(30)-ene-3,28-diol
Wiley ID VI000313