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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16653 - cycloeucalenol
Main
ChEBI Ontology
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ChEBI Name
cycloeucalenol
ChEBI ID
CHEBI:16653
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:4000, CHEBI:14046, CHEBI:23458
Supplier Information
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Formula
C30H50O
Net Charge
0
Average Mass
426.71740
Monoisotopic Mass
426.38617
InChI
InChI=1S/C30H50O/c1-
19(2)
20(3)
8-
9-
21(4)
23-
12-
14-
28(7)
26-
11-
10-
24-
22(5)
25(31)
13-
15-
29(24)
18-
30(26,29)
17-
16-
27(23,28)
6/h19,21-
26,31H,3,8-
18H2,1-
2,4-
7H3/t21-
,22+,23-
,24+,25+,26+,27-
,28+,29-
,30+/m1/s1
InChIKey
HUNLTIZKNQDZEI-PGFZVWMDSA-N
SMILES
[H]
[C@@]
12CC[C@@]
3([H]
)
[C@]
4(C)
CC[C@H]
([C@H]
(C)
CCC(=C)
C(C)
C)
[C@@]
4(C)
CC[C@]
33C[C@]
13CC[C@H]
(O)
[C@H]
2C
ChEBI Ontology
Outgoing
cycloeucalenol (
CHEBI:16653
)
has parent hydride
5α-ergostane (
CHEBI:20652
)
cycloeucalenol (
CHEBI:16653
)
is a
3β-sterol (
CHEBI:35348
)
cycloeucalenol (
CHEBI:16653
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
cycloeucalenol (
CHEBI:16653
)
is a
phytosterols (
CHEBI:26125
)
IUPAC Name
4α,14-dimethyl-9β,19-cyclo-5α-ergost-24(28)-en-3β-ol
Synonyms
Sources
3beta,4alpha,5alpha-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-ol
ChEBI
Cycloeucalenol
KEGG COMPOUND
cycloeucalenol
UniProt
cycloleucalenol
ChEBI
Manual Xrefs
Databases
C00007367
KNApSAcK
C02141
KEGG COMPOUND
View more database links
Registry Number
Type
Source
469-39-6
CAS Registry Number
KEGG COMPOUND
Last Modified
13 April 2015