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CHEBI:183581 - Acinospesigenin A

ChEBI IDCHEBI:183581
ChEBI NameAcinospesigenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O6
Net Charge0
Average Mass530.746
Monoisotopic Mass530.36074
SMILES[H][C@@]12CC(C)(C)CC[C@]1(C(=O)O)CC=C1[C@]3(C)CCC4[C@](C)(CC[C@H](OC(C)=O)[C@@]4(C)CO)C3C(O)C[C@]12C
InChIInChI=1S/C32H50O6/c1-19(34)38-24-10-12-29(5)22(31(24,7)18-33)8-11-28(4)21-9-13-32(26(36)37)15-14-27(2,3)17-23(32)30(21,6)16-20(35)25(28)29/h9,20,22-25,33,35H,8,10-18H2,1-7H3,(H,36,37)/t20?,22?,23-,24-,25?,28-,29-,30+,31-,32+/m0/s1
InChIKeyJJFCAFYUQNMBBV-UHBAAPTMSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315)
fruit body (BTO:0000487) MetaboLights (MTBLS3577)
primordium (BTO:0001886) MetaboLights (MTBLS3577)
ChEBI Ontology
Outgoing Relation(s)
Acinospesigenin A (CHEBI:183581) is a scalarane sesterterpenoid (CHEBI:59370)
IUPAC Name 
(4aS,6bR,9R,10S,12aS,13R,14aS,14bS)-10-acetyloxy-13-hydroxy-9-(hydroxymethyl)-2,2,6b,9,12a,14a-hexamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
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