| SpectraBase Spectrum ID |
xHk4GHdMO |
| Name |
(1R,3Z,7R,8R,11S)-7,8-Epoxy-13-ketodolabell-3-en-16-al |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/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/h7,12,15,17H,5-6,8-11H2,1-4H3/b14-7-/t15-,17-,19-,20-/m1/s1 |
| InChIKey |
BWEZCVWAORAZGX-NVTAXPAGSA-N |
| Instrument Name |
Agilent 5977A MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.1c00199 |
| Molecular Weight |
316.441 g/mol |
| Optical Rotation |
[a]D23 = +70 (c = 0.05, CHCl3) |
| Reported Formula |
C20H29O3 |
| SMILES |
C1[C@]2([C@](C\C=C\(CC[C@@]3([C@](C1)(C)O3)[H])C=O)(CC(C2=C(C)C)=O)C)[H] |
| SPLASH |
splash10-0a74-6900000000-ec8f43f181d33ff639a7 |
| Source of Spectrum |
G4-84-1380-9 |
| Wiley ID |
1884154 |
