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CHEBI:202911 - ethyl 3-O-acetylganoderate B

Default Structure
ChEBI IDCHEBI:202911
ChEBI Nameethyl 3-O-acetylganoderate B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O8
Net Charge0
Average Mass586.766
Monoisotopic Mass586.35057
SMILESCCOC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@@H]3O
InChIInChI=1S/C34H50O8/c1-10-41-30(40)19(3)14-21(36)13-18(2)22-15-26(39)34(9)29-23(37)16-25-31(5,6)27(42-20(4)35)11-12-32(25,7)28(29)24(38)17-33(22,34)8/h18-19,22-23,25,27,37H,10-17H2,1-9H3/t18-,19?,22-,23+,25+,27+,32+,33-,34+/m1/s1
InChIKeyPCOWDCXEKLHAGL-RPRHRYETSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.1002/hlca.200900028)
ChEBI Ontology
Outgoing Relation(s)
ethyl 3-O-acetylganoderate B (CHEBI:202911) is a triterpenoid (CHEBI:36615)
IUPAC Name 
ethyl (6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3-acetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
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78440919ChemSpider