| SpectraBase Spectrum ID |
LyOUlNbU7wj |
| Name |
(1R,3S,7R,8S,11S,12R)-3-hydroxy-1,4,8-trimethyl-12-(propan-2-yl)tricyclo[9.3.0.0(3,7)]tetradec-4-en-6-one |
| Appearance |
Amorphous, white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H32O2 |
| InChI |
InChI=1S/C20H32O2/c1-12(2)15-8-9-19(5)11-20(22)14(4)10-17(21)18(20)13(3)6-7-16(15)19/h10,12-13,15-16,18,22H,6-9,11H2,1-5H3/t13-,15+,16-,18-,19+,20+/m0/s1 |
| InChIKey |
DJXIIUFLBYBOFZ-IKSQAYNDSA-N |
| Instrument Name |
JEOL JMS AX 500 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np100472d |
| Molecular Weight |
304.474 g/mol |
| Optical Rotation |
[a]D27 = -10 (c = 0.4, CHCl3) |
| Reported Formula |
C20H36O2 |
| SMILES |
O[C@@]12[C@@]([C@](CC[C@@]3([C@@](C2)(CC[C@@]3(C(C)C)[H])C)[H])(C)[H])(C(C=C1C)=O)[H] |
| SPLASH |
splash10-002r-0960000000-cd82e7350a1151c92492 |
| Source of Spectrum |
G4-74-578-1 |
| Wiley ID |
1849069 |
