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CHEBI:182951 - 4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol

ChEBI IDCHEBI:182951
ChEBI Name4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol
Stars
Last Modified27 February 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC/C(=C/C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])[C@H](C(=O)O)[C@@H](O)CC[C@]12C
InChIInChI=1S/C30H48O3/c1-7-20(18(2)3)9-8-19(4)22-12-13-23-21-10-11-25-27(28(32)33)26(31)15-17-30(25,6)24(21)14-16-29(22,23)5/h7,10,18-19,22-27,31H,8-9,11-17H2,1-6H3,(H,32,33)/b20-7-/t19-,22-,23+,24+,25+,26+,27+,29-,30-/m1/s1
InChIKeyPLFNGFVQAIAQFS-HHZIVNGQSA-N
ChEBI Ontology
Outgoing Relation(s)
4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol (CHEBI:182951) has parent hydride stigmastane (CHEBI:26773)
4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol (CHEBI:182951) is a 3β-sterol (CHEBI:35348)
4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol (CHEBI:182951) is conjugate acid of 4α-carboxy-stigmasta-7,24(241)-dien-3β-ol(1−) (CHEBI:142919)
Incoming Relation(s)
4α-carboxy-stigmasta-7,24(241)-dien-3β-ol(1−) (CHEBI:142919) is conjugate base of 4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol (CHEBI:182951)
IUPAC Name 
(3S,4S,5S,9R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid
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C22120KEGG COMPOUND