taxane (CHEBI:36064)

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CHEBI:36064 - taxane

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ChEBI ID	CHEBI:36064
ChEBI Name	taxane
Stars
Last Modified	21 July 2010
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C20H36
Net Charge	0
Average Mass	276.508
Monoisotopic Mass	276.28170
SMILES	[H][C@]12CC[C@@H](C)[C@]([H])(CC[C@]3(C)CCC[C@@H](C)[C@@]3([H])C1)C2(C)C
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

ChEBI Ontology

Outgoing Relation(s)
	taxane (CHEBI:36064) is a diterpene (CHEBI:35190)
	taxane (CHEBI:36064) is a terpenoid fundamental parent (CHEBI:35662)
Incoming Relation(s)
	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	Source
(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 Numbers	Sources
CAS:1605-68-1	ChemIDplus