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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:36064 - taxane
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ChEBI Ontology
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ChEBI Name
taxane
ChEBI ID
CHEBI:36064
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
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
)
taxane diterpenoid (
CHEBI:50367
)
has parent hydride
taxane (
CHEBI:36064
)
IUPAC Name
taxane
Synonyms
Sources
(4
R
,4a
R
,6
S
,9
R
,10
S
,12a
R
)-
tetradecahydro-
4,9,12a,13,13-
pentamethyl-
6,10-
methanobenzocyclodecene
ChemIDplus
(4
R
-
(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