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CHEBI:175103 - Crispane

ChEBI IDCHEBI:175103
ChEBI NameCrispane
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FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILES[H][C@]12CCCC[C@]1(C)C(C)=C[C@H](OC(=O)/C(C)=C\C)[C@]2(O)C(C)C
InChIInChI=1S/C20H32O3/c1-7-14(4)18(21)23-17-12-15(5)19(6)11-9-8-10-16(19)20(17,22)13(2)3/h7,12-13,16-17,22H,8-11H2,1-6H3/b14-7-/t16-,17-,19+,20-/m0/s1
InChIKeyNXPBEWQMSGGADR-XUDYDAPFSA-N
ChEBI Ontology
Outgoing Relation(s)
Crispane (CHEBI:175103) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
[(1S,2S,4aS,8aS)-1-hydroxy-4,4a-dimethyl-1-propan-2-yl-2,5,6,7,8,8a-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
30777287ChemSpider
HMDB0038694HMDB