SpectraBase Spectrum ID |
47vgYDBFv5c |
Name |
1-Phenanthrenecarboxylic acid, 9-bromo-1,2,3,4,4a,10a-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,10a.alpha.)]- |
CAS Registry Number |
90164-56-0 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H25BrO2 |
InChI |
InChI=1S/C21H25BrO2/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11-12,18H,1,6,9-10H2,2-5H3/t18-,20-,21-/m1/s1 |
InChIKey |
CEFUXDBUQNENPH-HMXCVIKNSA-N |
Molecular Weight |
389.333 g/mol |
SMILES |
[C@]12([C@@](c3ccc(cc3C(=C2)Br)C(=C)C)(CCC[C@]1(C(=O)OC)C)C)[H] |
SPLASH |
splash10-014l-9001000000-1e5671e6ae3ed2772c23 |
Source of Spectrum |
AH-114-1264-0 |
Synonyms |
1,2,4,4a,10a-hexahydro-9-bromo-1,4a-dimethyl-7-(1-methylethenyl)-1-phenanthrenecarboxylic acid
Methyl (4beta)-7-bromoabieta-6,8,11,13,15(17)-pentaen-18-oate |
Wiley ID |
1363806 |