| SpectraBase Spectrum ID |
LUIO6h5X7j3 |
| Name |
Methyl ent-12.beta.- Acetoxy-15.beta.-hydroxykaur-16-en-19-oate |
| Appearance |
Colorless plates |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H34O5 |
| InChI |
InChI=1S/C23H34O5/c1-13-15-12-23(19(13)25)10-7-17-21(3,18(23)11-16(15)28-14(2)24)8-6-9-22(17,4)20(26)27-5/h15-19,25H,1,6-12H2,2-5H3/t15-,16+,17+,18+,19+,21-,22-,23-/m1/s1 |
| InChIKey |
QGHOZMNYEZNJJA-XNUGUJFJSA-N |
| Instrument Name |
Hewlett-Packard 5973 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1021/np030490j |
| Molecular Weight |
390.520 g/mol |
| Optical Rotation |
[a]D20 = -43.0 (c = 0.293, CHCl3) |
| SMILES |
O[C@@]1([C@@]23CC[C@@]4([C@@](CCC[C@]4([C@@]2(C[C@@]([C@@](C1=C)(C3)[H])(OC(=O)C)[H])[H])C)(C(=O)OC)C)[H])[H] |
| SPLASH |
splash10-00ea-0943000000-65b73f244ab9c5c6db87 |
| Source of Spectrum |
G4-67-620-17 |
| Wiley ID |
1881742 |
