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14-Oxabicyclo[11.2.1]hexadec-4-ene-8,12-dicarboxylic acid, 4,15,15-trimethyl-, [1R-(1R*,4Z,8R*,12S*,13S*)]-
SpectraBase Compound ID It3OGN9xJ0K
InChI InChI=1S/C20H32O5/c1-13-6-4-7-14(18(21)22)8-5-9-16(19(23)24)17-12-15(11-10-13)20(2,3)25-17/h6,14-17H,4-5,7-12H2,1-3H3,(H,21,22)(H,23,24)/b13-6-/t14-,15+,16-,17-/m0/s1
InChIKey KWEBFCAMVUQYNP-JQHZVCDJSA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H32O5
Exact Mass 352.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJA9xvYltTh
Name 14-Oxabicyclo[11.2.1]hexadec-4-ene-8,12-dicarboxylic acid, 4,15,15-trimethyl-, [1R-(1R*,4Z,8R*,12S*,13S*)]-
CAS Registry Number 87340-38-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-13-6-4-7-14(18(21)22)8-5-9-16(19(23)24)17-12-15(11-10-13)20(2,3)25-17/h6,14-17H,4-5,7-12H2,1-3H3,(H,21,22)(H,23,24)/b13-6-/t14-,15+,16-,17-/m0/s1
InChIKey KWEBFCAMVUQYNP-JQHZVCDJSA-N
Molecular Weight 352.471 g/mol
SMILES OC([C@]1(CC\C=C/(CC[C@]2(C(O[C@]([C@@](C(=O)O)(CCC1)[H])(C2)[H])(C)C)[H])C)[H])=O
SPLASH splash10-0apm-9401000000-00a1f6b9668084f1b0a9
Source of Spectrum B-36-1193-0
Synonyms (1R,3S,4S,8R,11Z)-3,15-epoxycembr-11-ene-18,19-dioic acid (1R,8R,12S,13S)-4,15,15-trimethyl-14-oxabicyclo[11.2.1]hexadec-4-ene-8,12-dicarboxylic acid
Wiley ID 1343311