| SpectraBase Spectrum ID |
BiQblPDDZ0Q |
| Name |
(1R,3Z,7R,8R,11S)-7,8-Epoxy-16-hydroxy-13-ketodolabell-3,12(18)-diene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H30O3 |
| InChI |
InChI=1S/C20H30O3/c1-13(2)18-15-8-10-20(4)17(23-20)6-5-14(12-21)7-9-19(15,3)11-16(18)22/h7,15,17,21H,5-6,8-12H2,1-4H3/b14-7-/t15-,17-,19-,20-/m1/s1 |
| InChIKey |
XHCQIKYHHAOUHL-NVTAXPAGSA-N |
| Instrument Name |
Agilent 5977A MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.1c00199 |
| Molecular Weight |
318.457 g/mol |
| Optical Rotation |
[a]D23 = + 63 (c = 0.06, CHCl3) |
| Reported Formula |
C20H29O2 |
| SMILES |
OC\C1=C/C[C@]2([C@](CC[C@@]3([C@@](CC1)(O3)[H])C)(C(C(C2)=O)=C(C)C)[H])C |
| SPLASH |
splash10-0pdu-7900000000-2b070d652a28a4fc7013 |
| Source of Spectrum |
G4-84-1380-8 |
| Wiley ID |
1884153 |
