SpectraBase Spectrum ID |
1egzBPqW5KK |
Name |
Angelol G, diacetate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
460.173332473 u |
Formula |
C24H28O9 |
InChI |
InChI=1S/C24H28O9/c1-8-13(2)23(28)32-22(24(5,6)33-15(4)26)21(30-14(3)25)17-11-16-9-10-20(27)31-18(16)12-19(17)29-7/h8-12,21-22H,1-7H3/b13-8-/t21-,22-/m1/s1 |
InChIKey |
PBEVQKPEJNKTMW-XWBPFNTBSA-N |
Molecular Weight |
460.479 g/mol |
SMILES |
C1(=C(C=C2C(=C1)C=CC(O2)=O)OC)[C@]([C@](C(OC(=O)C)(C)C)(OC(\C(=C/C)C)=O)[H])(OC(=O)C)[H] |