| SpectraBase Spectrum ID |
C9Qm8Tc4DQP |
| Name |
13-epi-15,16-Epoxy-15.alpha.-methoxy-ent-clerod-3-en-18-oic acid |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-14-8-10-21(3)16(19(22)23)6-5-7-17(21)20(14,2)11-9-15-12-18(24-4)25-13-15/h6,14-15,17-18H,5,7-13H2,1-4H3,(H,22,23)/t14-,15+,17-,18+,20+,21+/m1/s1 |
| InChIKey |
AGZLUBWOHWIZBV-UNJZARNNSA-N |
| Instrument Name |
JMS DX-303 and JMS AX-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np050276q |
| Molecular Weight |
350.499 g/mol |
| Optical Rotation |
[a]D26 = -13.4 (c = 0.4, MeOH) |
| Reported Formula |
C21H34O4 |
| SMILES |
OC(C1=CCC[C@@]2([C@@]([C@@](CC[C@@]12C)(C)[H])(C)CC[C@@]1(CO[C@](OC)(C1)[H])[H])[H])=O |
| SPLASH |
splash10-0udr-0195000000-799ebead008c1bab8ec1 |
| Source of Spectrum |
G4-69-276-2 |
| Wiley ID |
1874077 |
