CHEBI:217546 - Stereinone F

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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 F
ChEBI ID CHEBI:217546
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O2
Net Charge 0
Average Mass 440.712
Monoisotopic Mass 440.36543
InChI InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)21-14-17-29(7)22-12-13-24-27(4,5)25(31)15-16-28(24,6)23(22)18-26(32)30(21,29)8/h10,20-21,24-25,31H,9,11-18H2,1-8H3/t20-,21-,24+,25?,28-,29+,30+/m1/s1
InChIKey XLBKKEBZQRHJBS-KMEPNSATSA-N
SMILES O=C1[C@]2([C@](C=3CC[C@@H]4[C@@](C3C1)(CCC(C4(C)C)O)C)(CC[C@@H]2[C@@H](CCC=C(C)C)C)C)C
Metabolite of Species Details
Stereumspecies (NCBI:txid1849817) See: PubMed
ChEBI Ontology
Outgoing Stereinone F (CHEBI:217546) is a triterpenoid (CHEBI:36615)
IUPAC Name
(5R,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,5,6,7,11,15,16,17-decahydrocyclopenta[a]phenanthren-12-one