| SpectraBase Spectrum ID |
1UyhuEQRkzP |
| Name |
Atractylenolide iv, ac derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.157288487 u |
| Formula |
C19H24O6 |
| InChI |
InChI=1S/C19H24O6/c1-10-14-8-15-11(2)17(22)25-19(15,24-13(4)21)9-18(14,5)7-6-16(10)23-12(3)20/h14,16H,1,6-9H2,2-5H3/t14-,16-,18+,19-/m0/s1 |
| InChIKey |
RXMXEEQDYARRRW-WQCNXYOZSA-N |
| Molecular Weight |
348.395 g/mol |
| SMILES |
[C@@]12(OC(C(=C2C[C@@]2([C@](C1)(C)CC[C@@](C2=C)(OC(=O)C)[H])[H])C)=O)OC(=O)C |
