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Methyl (11S)-3-oxo-8.alpha.-hydroxy-7.alpha.H-eudesma-1,4-dien-12-oate
SpectraBase Compound ID EExcdKH4n86
InChI InChI=1S/C16H22O4/c1-9(15(19)20-4)11-7-12-10(2)13(17)5-6-16(12,3)8-14(11)18/h5-6,9,11,14,18H,7-8H2,1-4H3/t9-,11+,14-,16?/m0/s1
InChIKey LJVZKPOZZPXFHZ-ALJLGHQRSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsIe41L25oD
Name Methyl (11S)-3-oxo-8.alpha.-hydroxy-7.alpha.H-eudesma-1,4-dien-12-oate
CAS Registry Number 91914-35-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-9(15(19)20-4)11-7-12-10(2)13(17)5-6-16(12,3)8-14(11)18/h5-6,9,11,14,18H,7-8H2,1-4H3/t9-,11+,14-,16?/m0/s1
InChIKey LJVZKPOZZPXFHZ-ALJLGHQRSA-N
Molecular Weight 278.348 g/mol
SMILES O[C@@]1([C@](CC=2C(C=CC(C2C)=O)(C1)C)([C@@](C(=O)OC)(C)[H])[H])[H]
SPLASH splash10-00di-0960000000-82a822c2ae96709e88c6
Source of Spectrum I-65-632-6
Synonyms Methyl (2S)-2-[(2R,3S)-3-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4,4a,7-hexahydro-2-naphthalenyl]propanoate
Wiley ID 1282074