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2,6,10,12-Cyclotetradecatetraen-1-ol, 2,6,10-trimethyl-13-(1-methylethyl)-, acetate, [S-(all-E)]-
SpectraBase Compound ID 21DLGzkBn6C
InChI InChI=1S/C22H34O2/c1-16(2)21-14-13-18(4)10-7-9-17(3)11-8-12-19(5)22(15-21)24-20(6)23/h9,12-14,16,22H,7-8,10-11,15H2,1-6H3/b17-9+,18-13+,19-12+,21-14+/t22-/m0/s1
InChIKey VBJWNHGUYDLOJR-YFEOZBNWSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tWo6uWTkrz
Name 2,6,10,12-Cyclotetradecatetraen-1-ol, 2,6,10-trimethyl-13-(1-methylethyl)-, acetate, [S-(all-E)]-
CAS Registry Number 81575-70-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-16(2)21-14-13-18(4)10-7-9-17(3)11-8-12-19(5)22(15-21)24-20(6)23/h9,12-14,16,22H,7-8,10-11,15H2,1-6H3/b17-9+,18-13+,19-12+,21-14+/t22-/m0/s1
InChIKey VBJWNHGUYDLOJR-YFEOZBNWSA-N
Molecular Weight 330.512 g/mol
SMILES C1\C(=C\C=C/(C[C@@](\C(=C\CC\C(=C\C1)C)C)(OC(=O)C)[H])C(C)C)C
SPLASH splash10-00di-0090000000-792e5a777159e97fe8e7
Source of Spectrum B-35-1877-0
Synonyms (1S)-13-isopropyl-2,6,10-trimethyl-2,6,10,12-cyclotetradecatetraen-1-yl acetate 13-Acetoxycembra-1,3,7,11-tetraene 14-Acetoxycembra-1,3,7,11-tetraene
Wiley ID 1328341