| SpectraBase Spectrum ID |
DNpLSRoxXq5 |
| Name |
Acetic acid (3R,4aS,5aR,6aS,7S,10bR)-3,7-dimethyl-10a-(R)-methyl-3-vinyl-dodecahydro-5-oxa-cyclopropa[k]phenanthren-7-ylmethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O3 |
| InChI |
InChI=1S/C22H34O3/c1-6-19(3)11-8-16-21(5)10-7-9-20(4,14-24-15(2)23)17(21)12-18-22(16,13-19)25-18/h6,16-18H,1,7-14H2,2-5H3/t16-,17-,18-,19-,20-,21+,22+/m1/s1 |
| InChIKey |
SJZGEXQMSPVNLD-ZEVCKCCMSA-N |
| Instrument Name |
Micromass Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020457h |
| Molecular Weight |
346.511 g/mol |
| Reported Formula |
C22H34O3 |
| SMILES |
C1C[C@@](COC(=O)C)(C)[C@]2(C[C@]3(O[C@]33C[C@](C)(C=C)CC[C@]3([H])[C@]2(C)C1)[H])[H] |
| SPLASH |
splash10-0ff1-0279000000-725f61be23139a340a3d |
| Source of Spectrum |
G4-66-396-4a |
| Wiley ID |
1881296 |
![Acetic acid (3R,4aS,5aR,6aS,7S,10bR)-3,7-dimethyl-10a-(R)-methyl-3-vinyl-dodecahydro-5-oxa-cyclopropa[k]phenanthren-7-ylmethyl ester](/api/spectrum/DNpLSRoxXq5/structure.png?h=300&w=458 "Acetic acid (3R,4aS,5aR,6aS,7S,10bR)-3,7-dimethyl-10a-(R)-methyl-3-vinyl-dodecahydro-5-oxa-cyclopropa[k]phenanthren-7-ylmethyl ester")
