| SpectraBase Spectrum ID |
79EDMX6Hvzq |
| Name |
15,16-Epoxy-8.alpha.-(benzoyloxy)methylcleroda-3,13(16),14-trien-18-oic acid |
| Appearance |
White, amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32O5 |
| InChI |
InChI=1S/C27H32O5/c1-26(14-11-19-13-16-31-17-19)21(18-32-25(30)20-7-4-3-5-8-20)12-15-27(2)22(24(28)29)9-6-10-23(26)27/h3-5,7-9,13,16-17,21,23H,6,10-12,14-15,18H2,1-2H3,(H,28,29)/t21-,23+,26-,27-/m0/s1 |
| InChIKey |
DLXCJIWTYVKNPT-NQOWKFHGSA-N |
| Instrument Name |
Kratos Concept ISQ magnetic sector/ThermoFinnigan LTQ Orbitrap |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np100701s |
| Molecular Weight |
436.548 g/mol |
| Optical Rotation |
[a]D20 = -69.5 (c = 0.81, MeOH) |
| Reported Formula |
C27H32O5 |
| SMILES |
OC(C=1[C@]2([C@](CCC1)([C@]([C@@](CC2)(COC(c1ccccc1)=O)[H])(CCc1ccoc1)C)[H])C)=O |
| SPLASH |
splash10-0691-5940000000-e473c84d3ab3bf97a21f |
| Source of Spectrum |
G4-74-SM6-1 |
| Wiley ID |
1849085 |
