| SpectraBase Spectrum ID |
2cScW35KD2 |
| Name |
Methyl labdanolate |
| CAS Registry Number |
10267-25-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H38O3 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C21H38O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h15-17,23H,7-14H2,1-6H3/t15-,16-,17+,20-,21+/m0/s1 |
| InChIKey |
GOECIRGMYVJNBS-CFPPRVJZSA-N |
| Molecular Weight |
338.532 g/mol |
| SMILES |
O[C@]1(C)CC[C@@]2([H])C(C)(C)CCC[C@]2(C)[C@]1(CC[C@](C)(CC(=O)OC)[H])[H] |
| SPLASH |
splash10-052f-9800000000-70e041cd6fb4c1bf3015 |
| Source |
ex JOAQUIN ALTAREJOS, SEMI-SYNTHETIC |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1886711 |
