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LARREAGENIN-A;3-BETA-HYDROXY-30-NOR-OLEAN-13(18)-EN-28->20-BETA-LACTONE
SpectraBase Compound ID 7zaHprIjX1Y
InChI InChI=1S/C29H44O3/c1-24(2)20-9-12-28(6)21(26(20,4)11-10-22(24)30)8-7-18-19-17-25(3)13-15-29(19,23(31)32-25)16-14-27(18,28)5/h20-22,30H,7-17H2,1-6H3/t20-,21+,22-,25-,26-,27+,28+,29-/m0/s1
InChIKey SVXQNFUGNPYYCZ-JJDDSCJWSA-N
Mol Weight 440.7 g/mol
Molecular Formula C29H44O3
Exact Mass 440.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoWf9UJe478
Name 2H-2,4a-(Epoxymethano)picene, 30-norolean-13(18)-en-28-oic acid deriv.
CAS Registry Number 53526-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O3
InChI InChI=1S/C29H44O3/c1-24(2)20-9-12-28(6)21(26(20,4)11-10-22(24)30)8-7-18-19-17-25(3)13-15-29(19,23(31)32-25)16-14-27(18,28)5/h20-22,30H,7-17H2,1-6H3/t20-,21+,22-,25-,26-,27+,28+,29-/m0/s1
InChIKey SVXQNFUGNPYYCZ-JJDDSCJWSA-N
Molecular Weight 440.668 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CCC=4[C@@]([C@@]3(CC[C@]2(C1(C)C)[H])C)(C)CC[C@]12C4C[C@@](OC2=O)(CC1)C)[H])C)[H]
SPLASH splash10-00dl-0010900000-ebe6a2339229328ba088
Source of Spectrum I-68-2044-6
Synonyms 30-Norolean-13(18)-en-28-oic acid, 3,20-dihydroxy-, .delta.-lactone, (3.beta.,20.beta.)- (1R,4S,5R,8R,10S,13R,14R,20S)-10-hydroxy-4,5,9,9,13,20-hexamethyl-21-oxahexacyclo[18.2.2.0(1,18).0(4,17).0(5,14).0(8,13)]tetracos-17-en-22-one Larreagenin A Larregenin A
Wiley ID 1384868