| SpectraBase Spectrum ID |
57jhqfxITib |
| Name |
Methyl labd-8-enoate |
| Classification |
Diterpenoids |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
320.271530397 u |
| Formula |
C21H36O2 |
| InChI |
InChI=1S/C21H36O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h15,18H,7-14H2,1-6H3/t15?,18-,21+/m0/s1 |
| InChIKey |
YGWNSYBZXZHSJI-RJJXBHFZSA-N |
| Molecular Weight |
320.517 g/mol |
| Number of Peaks |
15 |
| SMILES |
C1CC(C)(C)[C@]2([C@](C)(C1)C(=C(C)CC2)CCC(CC(OC)=O)C)[H] |
| SPLASH |
splash10-05fs-5900000000-87cfcd6bf2a43688b1da |
| Source of Spectrum |
FF-13-308-M32 (DOI: 10.1002_(SICI)1099-1026(1998090)13_5_295) |
| Synonyms |
Methyl 3-methyl-5-((4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)pentanoate |
| Wiley ID |
1775218 |
