| SpectraBase Spectrum ID |
1Pqe8dzz1rZ |
| Name |
8,13-Epoxy-labdan-19-oic Acid |
| Alternate Name(s) |
(3S,4aR,6aR,10aS,10bR)-3-ethyl-3,4a,7,10a-tetramethyldodecahydro-1H-benzo[f]chromene-7-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H34O3 |
| InChI |
InChI=1S/C20H34O3/c1-6-17(2)12-8-15-18(3)10-7-11-19(4,16(21)22)14(18)9-13-20(15,5)23-17/h14-15H,6-13H2,1-5H3,(H,21,22)/t14-,15-,17+,18+,19?,20-/m1/s1 |
| InChIKey |
QJVHORQUFMWBBW-JDRWGOTFSA-N |
| Molecular Weight |
322.489 g/mol |
| SMILES |
OC(C1([C@]2([C@@]([C@@]3([C@](O[C@](CC3)(CC)C)(CC2)C)[H])(CCC1)C)[H])C)=O |
| SPLASH |
splash10-0a4i-0009000000-2a62bc3ca9f97db66bf4 |
| Source of Spectrum |
X4-18-448-0 |
| Wiley ID |
1585538 |
