| SpectraBase Spectrum ID |
L9B0vY1Yvuq |
| Name |
(1R,3S,4S,7E,11S,12S,14S)-14-Acetoxy-3,4-epoxy-7,18-dolabelladiene |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O3 |
| InChI |
InChI=1S/C22H34O3/c1-14(2)17-12-19(24-16(4)23)21(5)13-20-22(6,25-20)11-7-8-15(3)9-10-18(17)21/h8,17-20H,1,7,9-13H2,2-6H3/b15-8+/t17-,18+,19+,20+,21-,22+/m1/s1 |
| InChIKey |
UVAWBGLQQAGQHW-SKMPXITJSA-N |
| Instrument Name |
Hewlett-Packard 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np1006586 |
| Molecular Weight |
346.511 g/mol |
| Optical Rotation |
[a]D20 = +47.8 (c = 0.25, CHCl3) |
| Reported Formula |
C22H34O3 |
| SMILES |
C1[C@@]([C@]2([C@]([C@]1(C(=C)C)[H])(CC\C(=C\CC[C@]1([C@](C2)(O1)[H])C)C)[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-0apv-3940000000-110abf8039b7fb8d2f54 |
| Source of Spectrum |
G4-74-221-9 |
| Wiley ID |
1849051 |
