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Pentanedioic acid, 2-[tetrahydro-5,5-dimethyl-4-(3-oxobutyl)-2-furanyl]-, [2S-[2.alpha.(R*),4.beta.]]-
SpectraBase Compound ID BjNDQ0HVe82
InChI InChI=1S/C15H24O6/c1-9(16)4-5-10-8-12(21-15(10,2)3)11(14(19)20)6-7-13(17)18/h10-12H,4-8H2,1-3H3,(H,17,18)(H,19,20)/t10-,11+,12+/m1/s1
InChIKey HQJNUPLGPRACLN-WOPDTQHZSA-N
Mol Weight 300.35 g/mol
Molecular Formula C15H24O6
Exact Mass 300.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dPTNiFCtPl
Name Pentanedioic acid, 2-[tetrahydro-5,5-dimethyl-4-(3-oxobutyl)-2-furanyl]-, [2S-[2.alpha.(R*),4.beta.]]-
CAS Registry Number 87340-45-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O6
InChI InChI=1S/C15H24O6/c1-9(16)4-5-10-8-12(21-15(10,2)3)11(14(19)20)6-7-13(17)18/h10-12H,4-8H2,1-3H3,(H,17,18)(H,19,20)/t10-,11+,12+/m1/s1
InChIKey HQJNUPLGPRACLN-WOPDTQHZSA-N
Molecular Weight 300.351 g/mol
SMILES OC([C@@](CCC(=O)O)([C@]1(OC(C)(C)[C@@](C1)(CCC(=O)C)[H])[H])[H])=O
SPLASH splash10-0ab9-3910000000-6846035a73cbeb4c5e7f
Source of Spectrum B-36-1192-0
Synonyms (1R,3S,4S,7Z,11Z)-3,15-epoxycembra-7,11-dien-18-oic acid (2S)-2-[(2S,4R)-5,5-dimethyl-4-(3-oxobutyl)tetrahydro-2-furanyl]pentanedioic acid
Wiley ID 1302635