| SpectraBase Spectrum ID |
Cwicc3czvVx |
| Name |
ent-3.beta.-Acetoxylabda-8(17),12Z,14-trien-2.alpha.-ol |
| Appearance |
Amorphous white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O3 |
| InChI |
InChI=1S/C22H34O3/c1-8-14(2)9-11-17-15(3)10-12-19-21(5,6)20(25-16(4)23)18(24)13-22(17,19)7/h8-9,17-20,24H,1,3,10-13H2,2,4-7H3/b14-9-/t17-,18+,19-,20-,22+/m1/s1 |
| InChIKey |
LKMOGVWLLWEGRV-KPCHNIOPSA-N |
| Instrument Name |
Hewlett-Packard 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1021/np030490j |
| Molecular Weight |
346.511 g/mol |
| Optical Rotation |
[a]D18 = -16.5 (c = 0.291, CHCl3) |
| SMILES |
O[C@@]1([C@](C([C@@]2([C@@]([C@@](C(CC2)=C)(C\C=C/(C=C)C)[H])(C)C1)[H])(C)C)(OC(=O)C)[H])[H] |
| SPLASH |
splash10-052f-7900000000-9561e34ac41f5e869ec8 |
| Source of Spectrum |
G4-67-618-2 |
| Wiley ID |
1881745 |
