Description
4,5-Diepipsidial A is a triterpenoid compound found in the leaves of Psidium guajava L.
Synonyms
Benzo[b]cyclobuta[5,6]cyclonona[1,2-e]pyran-6,8-dicarboxaldehyde, 1,2,2a,3,4,4a,10,10a,11,12,13,13a-dodecahydro-7,9-dihydroxy-2,2,4a-trimethyl-13-methylene-10-phenyl-, (2aR,4aS,10S,10aR,13aS)-
IUPAC Name
(1S,4R,7S,11R,12S)-14,16-dihydroxy-1,5,5-trimethyl-8-methylidene-12-phenyl-19-oxatetracyclo[9.8.0.04,7.013,18]nonadeca-13,15,17-triene-15,17-dicarbaldehyde
Molecular Formula
C30H34O5
Canonical SMILES
CC1(CC2C1CCC3(C(CCC2=C)C(C4=C(C(=C(C(=C4O3)C=O)O)C=O)O)C5=CC=CC=C5)C)C
InChI
InChI=1S/C30H34O5/c1-17-10-11-23-24(18-8-6-5-7-9-18)25-27(34)20(15-31)26(33)21(16-32)28(25)35-30(23,4)13-12-22-19(17)14-29(22,2)3/h5-9,15-16,19,22-24,33-34H,1,10-14H2,2-4H3/t19-,22-,23-,24-,30+/m1/s1
InChIKey
NSFVENNIBGTQJE-RVUBIHFESA-N