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zhankuic acid B

Go to external page http://purl.obolibrary.org/obo/CHEBI_66504

A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by a hydroxy group at position 3, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3alpha,4alpha,5alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits cytotoxic, anticholinergic and antiserotonergic activities.

Term info

Label

zhankuic acid B

Synonyms
  • (3alpha,4alpha,5alpha)-3-hydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
(3alpha,4alpha,5alpha)-3-hydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid [ IUPAC ]

charge

0

formula

C29H42O5

has obo namespace

chebi_ontology

has related synonym

3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid

id

CHEBI:66504

inchi

InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-22,30H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,22-,28+,29-/m1/s1

inchikey

TXEJUZMIQVTZHO-JNXQNPAGSA-N

mass

470.64080

monoisotopicmass

470.30322

smiles

[H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@]1([H])CC3=O)[C@H](C)CCC(=C)C(C)C(O)=O