| SpectraBase Spectrum ID |
DouXNHMMklM |
| Name |
Neoabietic acid TMS |
| CAS Registry Number |
21414-51-7 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
374.264106997 u |
| Formula |
C23H38O2Si |
| InChI |
InChI=1S/C23H38O2Si/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/h15,19-20H,8-14H2,1-7H3/t19-,20+,22+,23+/m0/s1 |
| InChIKey |
SRJBVXFEUKREKF-KKSHJYNMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
374.640 g/mol |
| Nominal Mass |
374 u |
| Retention Index |
2726 |
| SMILES |
[C@]12([C@@]([C@@]3(C(CC2)=CC(CC3)=C(C)C)[H])(CCC[C@]1(C(O[Si](C)(C)C)=O)C)C)[H] |
| SPLASH |
splash10-0079-3900000000-40e2f3e9c3a4fdc2a989 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trimethylsilyl (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-\rcarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034823 |
