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poricoic acid G

Go to external page http://purl.obolibrary.org/obo/CHEBI_68355

A tricyclic triterpenoid isolated from Poria cocos.

Term info

Label

poricoic acid G

Synonyms
  • (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid [ IUPAC ]

charge

0

formula

C30H46O5

has obo namespace

chebi_ontology

has related synonym

16alpha-hydroxy-3,4-seco-lanosta-4(28),8,24-triene-3,21-dioic acid

id

CHEBI:68355

inchi

InChI=1S/C30H46O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,20-21,24,26,31H,3,8,10-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21+,24-,26+,28+,29-,30+/m1/s1

inchikey

VPTZOSBKEDUOFE-KXGBKNTBSA-N

mass

486.68320

monoisotopicmass

486.33452

smiles

CC(=C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(O)=O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(O)=O