CHEBI:36064 - taxane

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ChEBI Name taxane
ChEBI ID CHEBI:36064
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000535385354
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Formula C20H36
Net Charge 0
Average Mass 276.49984
Monoisotopic Mass 276.28170
InChI InChI=1S/C20H36/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h14-18H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,20+/m1/s1
InChIKey DKPFODGZWDEEBT-QFIAKTPHSA-N
SMILES [H][C@]12CC[C@@H](C)[C@]([H])(CC[C@]3(C)CCC[C@@H](C)[C@@]3([H])C1)C2(C)C
ChEBI Ontology
Outgoing taxane (CHEBI:36064) is a diterpene (CHEBI:35190)
taxane (CHEBI:36064) is a terpenoid fundamental parent (CHEBI:35662)
Incoming baccatin III (CHEBI:32898) has parent hydride taxane (CHEBI:36064)
docetaxel anhydrous (CHEBI:4672) has parent hydride taxane (CHEBI:36064)
taxa-4,11-diene (CHEBI:30037) has parent hydride taxane (CHEBI:36064)
taxa-420,1112-diene (CHEBI:232563) has parent hydride taxane (CHEBI:36064)
taxane diterpenoid (CHEBI:50367) has parent hydride taxane (CHEBI:36064)
IUPAC Name
taxane
Synonyms Sources
(4R,4aR,6S,9R,10S,12aR)-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene ChemIDplus
(4R-(4α,4aβ,6α,9α,10α,12aα))-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene ChemIDplus
Registry Number Type Source
1605-68-1 CAS Registry Number ChemIDplus
Last Modified
21 July 2010