| SpectraBase Spectrum ID |
JhzP5KbTSvW |
| Name |
Herbarumin III |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20O3 |
| InChI |
InChI=1S/C12H20O3/c1-2-6-11-9-10(13)7-4-3-5-8-12(14)15-11/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3/b7-4+/t10-,11+/m0/s1 |
| InChIKey |
IWZXZFNLDPFUKQ-NAJRYUOPSA-N |
| Instrument Name |
JEOL SX 102 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020501t |
| Molecular Weight |
212.289 g/mol |
| Optical Rotation |
[a]D = +22.0 (c = 1 mg/mL, EtOH) |
| Reported Formula |
C12H20O3 |
| SMILES |
O[C@]1(\C=C\CCCC(O[C@@](C1)(CCC)[H])=O)[H] |
| SPLASH |
splash10-0m07-9900000000-9a199c5e2cf6ba0b6fdd |
| Source of Spectrum |
G4-66-513-3 |
| Wiley ID |
1881349 |
