CHEBI:178554 - Stoloniferone K

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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 Stoloniferone K
ChEBI ID CHEBI:178554
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O4
Net Charge 0
Average Mass 446.672
Monoisotopic Mass 446.33961
InChI InChI=1S/C28H46O4/c1-16(2)17(3)9-10-18(4)20-11-12-21-19-14-24(31)28(32)13-7-8-23(30)27(28,6)25(19)22(29)15-26(20,21)5/h7-8,16-22,24-25,29,31-32H,9-15H2,1-6H3/t17-,18+,19-,20+,21-,22+,24+,25+,26+,27+,28-/m0/s1
InChIKey LHCJUGVREBOUPD-AVSXZLHXSA-N
SMILES O[C@H]1[C@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](C(C)C)C)C)[H])(C1)C)[H])(C[C@@H](O)[C@]4(O)[C@]2(C)C(=O)C=CC4)[H])[H]
ChEBI Ontology
Outgoing Stoloniferone K (CHEBI:178554) is a ergostanoid (CHEBI:50403)
IUPAC Name
(5R,6R,8S,9S,10R,11R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-5,6,11-trihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-1-one
Manual Xrefs Databases
20565219 ChemSpider
LMST01031097 LIPID MAPS
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