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1-Phenanthrenecarboxylic acid, 8a-bromo-7-(1-bromo-1-methylethyl)tetradecahydro-1,4a-dimethyl-, methyl ester
SpectraBase Compound ID 3lqlPvdZxpu
InChI InChI=1S/C21H34Br2O2/c1-18(2,22)14-7-8-16-19(3)10-6-11-20(4,17(24)25-5)15(19)9-12-21(16,23)13-14/h14-16H,6-13H2,1-5H3
InChIKey WNHCZXFRZJDCRH-UHFFFAOYSA-N
Mol Weight 478.3 g/mol
Molecular Formula C21H34Br2O2
Exact Mass 476.092556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VvtMuz0RlX
Name 1-Phenanthrenecarboxylic acid, 8a-bromo-7-(1-bromo-1-methylethyl)tetradecahydro-1,4a-dimethyl-, methyl ester
Alternate Name(s) Podocarpan-15-oic acid, 8-bromo-13-(1-bromo-1-methylethyl)-, methyl ester Methyl 8,15-dibromoabietan-18-oate
CAS Registry Number 22628-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34Br2O2
InChI InChI=1S/C21H34Br2O2/c1-18(2,22)14-7-8-16-19(3)10-6-11-20(4,17(24)25-5)15(19)9-12-21(16,23)13-14/h14-16H,6-13H2,1-5H3
InChIKey WNHCZXFRZJDCRH-UHFFFAOYSA-N
Molecular Weight 478.309 g/mol
SMILES C12(C(C(C(=O)OC)(C)CCC2)CCC2(C1CCC(C(Br)(C)C)C2)Br)C
SPLASH splash10-006x-7497000000-02450a7d44700f3a7025
Source of Spectrum B-43-873-22
Wiley ID 1394227