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CHEBI:181532 - (1R,2R,3Ar,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,10,11,13-hexaacetoxy-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione

ChEBI IDCHEBI:181532
ChEBI Name(1R,2R,3Ar,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,10,11,13-hexaacetoxy-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O14
Net Charge0
Average Mass650.674
Monoisotopic Mass650.25746
SMILES[H][C@]12[C@@H](OC(C)=O)[C@](C)(OC(C)=O)C[C@]1(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)C(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=C)[C@@H]2OC(C)=O
InChIInChI=1S/C32H42O14/c1-15-12-13-30(9,10)28(40)26(43-19(5)35)25(42-18(4)34)16(2)24(41-17(3)33)23-29(44-20(6)36)31(11,45-21(7)37)14-32(23,27(15)39)46-22(8)38/h12-13,15,23-26,29H,2,14H2,1,3-11H3/b13-12+/t15-,23+,24+,25+,26-,29-,31-,32-/m1/s1
InChIKeyOFUTZNNUWRTXHO-RQGSMOOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,2R,3Ar,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,10,11,13-hexaacetoxy-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione (CHEBI:181532) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,2,3a,10,11-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate
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