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15-oxabicyclo[9.3.1]pentadeca-2,6-diene-3-methanol, 10-bromo-7,11-dimethyl-14-(1-methylethenyl)-, benzoate, (1R*,3E,6E,10S*,11R*,14S*)-(+-)-
SpectraBase Compound ID HV4s1esmZB2
InChI InChI=1S/C27H35BrO3/c1-19(2)23-15-16-27(4)25(28)14-13-20(3)9-8-10-21(17-24(23)31-27)18-30-26(29)22-11-6-5-7-12-22/h5-7,9,11-12,17,23-25H,1,8,10,13-16,18H2,2-4H3/b20-9+,21-17+/t23-,24+,25-,27+/m0/s1
InChIKey QDPDTKJNTYEOOD-TZSLQCDHSA-N
Mol Weight 487.5 g/mol
Molecular Formula C27H35BrO3
Exact Mass 486.176958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KbXUvnJHNi
Name 15-oxabicyclo[9.3.1]pentadeca-2,6-diene-3-methanol, 10-bromo-7,11-dimethyl-14-(1-methylethenyl)-, benzoate, (1R*,3E,6E,10S*,11R*,14S*)-(+-)-
Alternate Name(s) 15-Oxabicyclo[9.3.1]pentadeca-2,6-diene-3-methanol, 10-bromo-7,11-dimethyl-14-(1-methylethenyl)-, benzote, (1R*,3E,6E,10S*,11R*,14S*)-(+-)- [(1R,10S,11R,14S)-10-bromo-14-isopropenyl-7,11-dimethyl-15-oxabicyclo[9.3.1]pentadeca-2,6-dien-3-yl]methyl benzoate
CAS Registry Number 107099-13-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35BrO3
InChI InChI=1S/C27H35BrO3/c1-19(2)23-15-16-27(4)25(28)14-13-20(3)9-8-10-21(17-24(23)31-27)18-30-26(29)22-11-6-5-7-12-22/h5-7,9,11-12,17,23-25H,1,8,10,13-16,18H2,2-4H3/b20-9+,21-17+/t23-,24+,25-,27+/m0/s1
InChIKey QDPDTKJNTYEOOD-TZSLQCDHSA-N
Molecular Weight 487.478 g/mol
SMILES [C@@]12(O[C@@]([C@](CC\C(=C\CC\C(=C/2)COC(=O)c2ccccc2)C)(Br)[H])(CC[C@]1(C(=C)C)[H])C)[H]
SPLASH splash10-053r-0905000000-2e68f644170888b26c08
Source of Spectrum J-52-1809-33
Wiley ID 1396489