| SpectraBase Spectrum ID |
1fLe0VIPRdo |
| Name |
15,16-Epoxy-8.alpha.-(benzoyloxy)methyl-2.alpha.-hydroxycleroda-3,13(16),14-trien-18-oic acid |
| Appearance |
White, crystalline needles |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32O6 |
| InChI |
InChI=1S/C27H32O6/c1-26(11-8-18-10-13-32-16-18)20(17-33-25(31)19-6-4-3-5-7-19)9-12-27(2)22(24(29)30)14-21(28)15-23(26)27/h3-7,10,13-14,16,20-21,23,28H,8-9,11-12,15,17H2,1-2H3,(H,29,30)/t20-,21-,23+,26-,27-/m0/s1 |
| InChIKey |
KRLNRFUNUIQBKJ-SNSAYHBYSA-N |
| Instrument Name |
Kratos Concept ISQ magnetic sector/ThermoFinnigan LTQ Orbitrap |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np100701s |
| Molecular Weight |
452.547 g/mol |
| Optical Rotation |
[a]D20 = -75.4 (c = 0.84, MeOH) |
| SMILES |
OC(C=1[C@]2([C@](C[C@](C1)(O)[H])([C@]([C@@](CC2)(COC(c1ccccc1)=O)[H])(CCc1ccoc1)C)[H])C)=O |
| SPLASH |
splash10-052f-9510000000-9ead8402fe5a63d35b29 |
| Source of Spectrum |
G4-74-SM11-2 |
| Wiley ID |
1849086 |
