CHEBI:217552 - Stereinone G

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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 Stereinone G
ChEBI ID CHEBI:217552
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O3
Net Charge 0
Average Mass 454.695
Monoisotopic Mass 454.34470
InChI InChI=1S/C30H46O3/c1-18(2)23(31)11-9-19(3)20-13-16-29(7)21-10-12-24-27(4,5)25(32)14-15-28(24,6)22(21)17-26(33)30(20,29)8/h19-20,23-24,31H,1,9-17H2,2-8H3/t19-,20-,23?,24+,28-,29+,30+/m1/s1
InChIKey YOCKFMNXVHNRLA-XDLOINAOSA-N
SMILES O=C1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H](CCC(O)C(=C)C)C)CC4)(C)C(C3)=O)C)CC2)(C)CC1)(C)C
Metabolite of Species Details
Stereumspecies (NCBI:txid1849817) See: PubMed
ChEBI Ontology
Outgoing Stereinone G (CHEBI:217552) is a triterpenoid (CHEBI:36615)
IUPAC Name
(5R,10S,13R,14S,17R)-17-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,7,11,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,12-dione