| SpectraBase Spectrum ID |
3AJBYTaDbIQ |
| Name |
(+/-)-2-(1S,2S,5R)-(2-(2-Ethoxypropan-2-yl)-5-methylcyclopentyl)-3,6-dihydroxy-5-undecylcyclohexa-2,5-diene-1,4-dione |
| Appearance |
Amorphous brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O5 |
| InChI |
InChI=1S/C28H46O5/c1-6-8-9-10-11-12-13-14-15-16-20-24(29)26(31)23(27(32)25(20)30)22-19(3)17-18-21(22)28(4,5)33-7-2/h19,21-22,29,32H,6-18H2,1-5H3/t19-,21+,22+/m1/s1 |
| InChIKey |
QNXGSAQPYOFMKF-HJNYFJLDSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.5b01038 |
| Molecular Weight |
462.671 g/mol |
| Reported Formula |
C28H46O5 |
| SMILES |
OC1=C(C(C(=C(C1=O)[C@@]1([C@](CC[C@]1(C)[H])(C(C)(C)OCC)[H])[H])O)=O)CCCCCCCCCCC |
| SPLASH |
splash10-000i-9001200000-cff3759e8977cf372752 |
| Source of Spectrum |
G4-79-974-3b' |
| Wiley ID |
1849310 |
