| SpectraBase Spectrum ID |
B3nwJzNYHTs |
| Name |
(Z)-12-methoxy-14,15,16-trinorlabd-11-en-13-oic acid |
| Alternate Name(s) |
(2Z)-3-[(1R,2S,4aS,8aR)-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-2-methoxy-2-propenoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H30O3 |
| InChI |
InChI=1S/C18H30O3/c1-12-7-8-15-17(2,3)9-6-10-18(15,4)13(12)11-14(21-5)16(19)20/h11-13,15H,6-10H2,1-5H3,(H,19,20)/b14-11-/t12-,13-,15-,18+/m0/s1 |
| InChIKey |
ONUTZAHMAOOZSQ-LSMKCZQMSA-N |
| Molecular Weight |
294.435 g/mol |
| SMILES |
OC(\C(=C\[C@@]1([C@@]2([C@](C(C)(C)CCC2)(CC[C@@]1(C)[H])[H])C)[H])OC)=O |
| SPLASH |
splash10-002f-0090000000-e309a524199475734818 |
| Source of Spectrum |
B-46-1125-0 |
| Wiley ID |
1297495 |
