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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol
ChEBI ID CHEBI:182951
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O3
Net Charge 0
Average Mass 456.711
Monoisotopic Mass 456.36035
InChI InChI=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
InChIKey PLFNGFVQAIAQFS-HHZIVNGQSA-N
SMILES O[C@@H]1[C@H]([C@]2([C@@]([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H](CC/C(/C(C)C)=C/C)C)[H])(CC3)C)[H])=CC2)[H])(CC1)C)[H])C(O)=O
ChEBI Ontology
Outgoing 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 steroid (CHEBI:35341)
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
Manual Xref Database
C22120 KEGG COMPOUND
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