| SpectraBase Spectrum ID |
1RAIIIKr7vP |
| Name |
ent-(13S)-hydroxy-3,14-clerodadiene |
| Alternate Name(s) |
(+)-Kolavelool |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H34O |
| InChI |
InChI=1S/C20H34O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,9,16-17,21H,1,8,10-14H2,2-6H3/t16-,17+,18+,19+,20+/m0/s1 |
| InChIKey |
YBDUXZKWDIUNSG-OMQSBVIBSA-N |
| Instrument Name |
JEOL JMS AX-500 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010223i |
| Molecular Weight |
290.491 g/mol |
| Optical Rotation |
[a]D18 = +59.1 (c = 0.68) |
| Reported Formula |
C20H34O |
| SMILES |
O[C@@](CC[C@]1([C@@]2(CCC=C([C@]2(CC[C@@]1(C)[H])C)C)[H])C)(C=C)C |
| SPLASH |
splash10-052k-9700000000-6b5b4bd3fbe3b908800c |
| Source of Spectrum |
G4-64-1316-11 |
| Wiley ID |
1882869 |
