CHEBI:37526 - tigliane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tigliane
ChEBI ID CHEBI:37526
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C20H34
Net Charge 0
Average Mass 274.485
Monoisotopic Mass 274.26605
InChI InChI=1S/C20H34/c1-11-6-14-7-12(2)9-16-18(15(14)8-11)13(3)10-17-19(16)20(17,4)5/h11-19H,6-10H2,1-5H3/t11-,12+,13-,14+,15-,16-,17-,18-,19+/m1/s1
InChIKey CGVXVPQJMYMMIH-HKDZDBKOSA-N
SMILES C1[C@@]2([C@@]([C@]3([C@@](C[C@H](C3)C)(C[C@@H]1C)[H])[H])([C@H](C)C[C@@]4([C@]2(C4(C)C)[H])[H])[H])[H]
ChEBI Ontology
Outgoing tigliane (CHEBI:37526) is a diterpene (CHEBI:35190)
tigliane (CHEBI:37526) is a terpenoid fundamental parent (CHEBI:35662)
Incoming phorbol (CHEBI:8116) has parent hydride tigliane (CHEBI:37526)
IUPAC Name
(1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-1,1,3,6,8-pentamethyltetradecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene
Synonyms Sources
Tiglian ChEBI
tigliane
Note: (2007-01-18) At present, not listed as a fundamental parent structure by IUPAC.
 ChEBI
Registry Number Type Source
67707-87-3 CAS Registry Number ChemIDplus
Last Modified
27 April 2016