CHEBI:228078 - Ganocalidophin A

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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 Ganocalidophin A
ChEBI ID CHEBI:228078
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/c1-17(7-8-18(2)25(3,4)31)20-11-14-28(32)22-16-24(30)23-15-19(29)9-12-26(23,5)21(22)10-13-27(20,28)6/h16-21,23,29,31-32H,7-15H2,1-6H3/t17-,18+,19-,20-,21+,23+,26-,27-,28-/m1/s1
InChIKey SHEXVLKGCVJHHF-PZRVIACFSA-N
SMILES O=C1C=C2[C@@]3(O)[C@@]([C@@H]([C@@H](CC[C@@H](C(O)(C)C)C)C)CC3)(CC[C@@H]2[C@@]4([C@H]1C[C@H](O)CC4)C)C
Metabolite of Species Details
Ganoderma sinense (NCBI:txid36075) See: DOI
ChEBI Ontology
Outgoing Ganocalidophin A (CHEBI:228078) is a ergostanoid (CHEBI:50403)
IUPAC Name
(3R,5R,9R,10R,13R,14S,17R)-3,14-dihydroxy-17-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one