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(1R,4Z,8E,12S,13S)-8-formyl-4,15,15-trimethyl-14-oxabicyclo[11.2.1]hexadeca-4,8-diene-12-carboxylic acid
SpectraBase Compound ID EOJiQmVQTL8
InChI InChI=1S/C20H30O4/c1-14-6-4-7-15(13-21)8-5-9-17(19(22)23)18-12-16(11-10-14)20(2,3)24-18/h6,8,13,16-18H,4-5,7,9-12H2,1-3H3,(H,22,23)/b14-6-,15-8+/t16-,17+,18+/m1/s1
InChIKey QXVKGHACURAACX-MISJYZNWSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOJEcBf3tAX
Name (1R,4Z,8E,12S,13S)-8-formyl-4,15,15-trimethyl-14-oxabicyclo[11.2.1]hexadeca-4,8-diene-12-carboxylic acid
CAS Registry Number 87340-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-14-6-4-7-15(13-21)8-5-9-17(19(22)23)18-12-16(11-10-14)20(2,3)24-18/h6,8,13,16-18H,4-5,7,9-12H2,1-3H3,(H,22,23)/b14-6-,15-8+/t16-,17+,18+/m1/s1
InChIKey QXVKGHACURAACX-MISJYZNWSA-N
Molecular Weight 334.456 g/mol
SMILES OC([C@@]1([C@]2(OC(C)(C)[C@@](C2)(CC\C(=C/CC\C(=C/CC1)C=O)C)[H])[H])[H])=O
SPLASH splash10-0api-9211000000-7ddab681640da04a0bfe
Source of Spectrum B-36-1191-0
Synonyms (1R,4Z,8E,12S,13S)-8-methanoyl-4,15,15-trimethyl-14-oxabicyclo[11.2.1]hexadeca-4,8-diene-12-carboxylic acid
Wiley ID 1331107