| SpectraBase Spectrum ID |
Bz8uGINK43t |
| Name |
dehydroabietic acid, 1TMS |
| Alternate Name(s) |
Dehydroabietate, 1TMS
DEHYDROABIETIC ACID, 1TMS
Abietic acid, dehydro-, 1TMS
(-)-Dehydroabietic acid, 1TMS
NSC2952, 1TMS
Abieta-8,11,13-trien-18-oic acid, 1TMS
(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid, 1TMS
Trimethylsilyl (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate |
| Comments |
Derivatization type: 1 TMS (mass: 372.248); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000962; Note: The molecular formula of the structure shown is C20H28O2 - which differs from the formula reported for the mass spectrum (C23H36O2Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H36O2Si |
| InChI |
InChI=1S/C23H36O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h9,11,15-16,20H,8,10,12-14H2,1-7H3/t20-,22-,23-/m1/s1 |
| InChIKey |
HSHYFFAXUHETAU-YMPZKCBVSA-N |
| Molecular Weight |
372.624 g/mol |
| SMILES |
CC(C)c1ccc2c(CC[C@@]3([C@]2(C)CCC[C@@]3(C)C(=O)O[Si](C)(C)C)[H])c1 |
| SPLASH |
splash10-000l-0940000000-76d705054d94413befa1 |
| Source of Spectrum |
FM-2019-962-0 |
| Wiley ID |
1818622 |
