Description
20-Deoxyingenol 3-angelate, also called 3-Angelyl-20-deoxyingenol, is a natural diterpenoid compound.
Synonyms
3-Angelyl-20-deoxyingenol
IUPAC Name
[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate
Molecular Formula
C25H34O5
Canonical SMILES
CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)C)O)O)C
InChI
InChI=1S/C25H34O5/c1-8-12(2)22(28)30-21-14(4)11-24-15(5)10-17-18(23(17,6)7)16(20(24)27)9-13(3)19(26)25(21,24)29/h8-9,11,15-19,21,26,29H,10H2,1-7H3/b12-8-/t15-,16+,17-,18+,19-,21+,24+,25+/m1/s1
InChIKey
UQOWJJGOQJONCI-MZRDIQIISA-N