| SpectraBase Spectrum ID |
F9Ak028OEhC |
| Name |
(1S,2S,6S,7R,10S,13R)-6-(hydroxymethyl)-2,6,12-trimethyltetracyclo[11.2.1.0(1,10).0(2,7)]hexadec-11-en-14-one |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O2 |
| InChI |
InChI=1S/C20H30O2/c1-13-9-14-5-6-17-18(2,12-21)7-4-8-19(17,3)20(14)10-15(13)16(22)11-20/h9,14-15,17,21H,4-8,10-12H2,1-3H3/t14-,15+,17-,18+,19-,20-/m0/s1 |
| InChIKey |
JWNNHKQTEXOWAP-BVTPCJTOSA-N |
| Instrument Name |
Shimadzu GCMS-QP5000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np300518j |
| Molecular Weight |
302.458 g/mol |
| Optical Rotation |
[a]25D = +539.1 (c = 2.7, CHCl3) |
| Reported Formula |
C20H30O2 |
| SMILES |
OC[C@]1(CCC[C@]2([C@]1(CC[C@@]1([C@@]22C[C@](C(=C1)C)(C(C2)=O)[H])[H])[H])C)C |
| SPLASH |
splash10-0api-9810000000-021cbc4a6433ef482f07 |
| Source of Spectrum |
G4-75-1949-(+)-16 |
| Wiley ID |
1867523 |
![(1S,2S,6S,7R,10S,13R)-6-(hydroxymethyl)-2,6,12-trimethyltetracyclo[11.2.1.0(1,10).0(2,7)]hexadec-11-en-14-one](/api/spectrum/F9Ak028OEhC/structure.png?h=300&w=458 "(1S,2S,6S,7R,10S,13R)-6-(hydroxymethyl)-2,6,12-trimethyltetracyclo[11.2.1.0(1,10).0(2,7)]hexadec-11-en-14-one")
