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CHEBI:187403 - Acetyl Podocarpic Acid Anhydride

ChEBI IDCHEBI:187403
ChEBI NameAcetyl Podocarpic Acid Anhydride
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H46O7
Net Charge0
Average Mass614.779
Monoisotopic Mass614.32435
SMILES[H][C@@]12CCc3ccc(OC(C)=O)cc3[C@@]1(C)CCC[C@]2(C)C(=O)OC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(C)=O)ccc3CC[C@@]12[H]
InChIInChI=1S/C38H46O7/c1-23(39)43-27-13-9-25-11-15-31-35(3,29(25)21-27)17-7-19-37(31,5)33(41)45-34(42)38(6)20-8-18-36(4)30-22-28(44-24(2)40)14-10-26(30)12-16-32(36)38/h9-10,13-14,21-22,31-32H,7-8,11-12,15-20H2,1-6H3/t31-,32-,35-,36-,37+,38+/m1/s1
InChIKeyOUJQRQRBNRGQTC-SPGSYPTKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Acetyl Podocarpic Acid Anhydride (CHEBI:187403) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,4aS,10aR)-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl] (1S,4aS,10aR)-6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Manual XrefsDatabases
8006160ChemSpider