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actinidic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_71457

A pentacyclic triterpenoid that is ursa-12,20(30)-diene substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23. It is a phytoalexin isolated from the peel of unripe kiwi fruit Actinidia deliciosa.

Term info

Label

actinidic acid

Synonyms
  • (2alpha,3beta)-2,3,23-trihydroxyursa-12,20(30)-dien-28-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(2alpha,3beta)-2,3,23-trihydroxyursa-12,20(30)-dien-28-oic acid [ IUPAC ]

charge

0

formula

C30H46O5

has obo namespace

chebi_ontology

id

CHEBI:71457

inchi

InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,18,20-24,31-33H,1,8-16H2,2-6H3,(H,34,35)/t18-,20+,21+,22+,23-,24-,26-,27-,28+,29+,30-/m0/s1

inchikey

FFMVHFPLIIYYNC-QXIFDOFRSA-N

mass

486.68320

monoisotopicmass

486.33452

smiles

[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO