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15-oxabicyclo[12.1.0]pentadeca-6,10-diene-7-methanol, 5-(benzoyloxy)-1,11-dimethyl-4-(1-methylethenyl)-, benzoate
SpectraBase Compound ID 3UGqoEZdYg2
InChI InChI=1S/C34H40O5/c1-24(2)29-20-21-34(4)31(39-34)19-18-25(3)12-11-13-26(23-37-32(35)27-14-7-5-8-15-27)22-30(29)38-33(36)28-16-9-6-10-17-28/h5-10,12,14-17,22,29-31H,1,11,13,18-21,23H2,2-4H3/b25-12-,26-22+
InChIKey KPLHCNZPBUNYOD-HYIFSMJFSA-N
Mol Weight 528.7 g/mol
Molecular Formula C34H40O5
Exact Mass 528.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TPYVG5Kb4o
Name 15-oxabicyclo[12.1.0]pentadeca-6,10-diene-7-methanol, 5-(benzoyloxy)-1,11-dimethyl-4-(1-methylethenyl)-, benzoate
CAS Registry Number 107114-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H40O5
InChI InChI=1S/C34H40O5/c1-24(2)29-20-21-34(4)31(39-34)19-18-25(3)12-11-13-26(23-37-32(35)27-14-7-5-8-15-27)22-30(29)38-33(36)28-16-9-6-10-17-28/h5-10,12,14-17,22,29-31H,1,11,13,18-21,23H2,2-4H3/b25-12-,26-22+
InChIKey KPLHCNZPBUNYOD-HYIFSMJFSA-N
Molecular Weight 528.689 g/mol
SMILES C12(OC2CC\C(=C/CC\C(=C/C(C(CC1)C(=C)C)OC(=O)c1ccccc1)COC(=O)c1ccccc1)C)C
SPLASH splash10-0540-0190000000-1e685ca8b9bd668c4fa0
Source of Spectrum J-52-1809-31
Synonyms 7-[(benzoyloxy)methyl]-4-isopropenyl-1,11-dimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-yl benzoate
Wiley ID 1403139