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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:26661 - shidasterone
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ChEBI Ontology
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ChEBI Name
shidasterone
ChEBI ID
CHEBI:26661
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H42O6
Net Charge
0
Average Mass
462.61878
Monoisotopic Mass
462.29814
InChI
InChI=1S/C27H42O6/c1-
23(2)
9-
8-
22(33-
23)
26(5,31)
21-
7-
11-
27(32)
16-
12-
18(28)
17-
13-
19(29)
20(30)
14-
24(17,3)
15(16)
6-
10-
25(21,27)
4/h12,15,17,19-
22,29-
32H,6-
11,13-
14H2,1-
5H3/t15-
,17-
,19+,20-
,21-
,22?,24+,25+,26+,27+/m0/s1
InChIKey
JWXMXJQGIRXWDG-SASGHFKCSA-N
SMILES
[H]
[C@]
12CC[C@]
3(C)
[C@]
([H]
)
(CC[C@@]
3(O)
C1=CC(=O)
[C@]
1([H]
)
C[C@@H]
(O)
[C@@H]
(O)
C[C@]
21C)
[C@@]
(C)
(O)
C1CCC(C)
(C)
O1
ChEBI Ontology
Outgoing
shidasterone (
CHEBI:26661
)
is a
14α-hydroxy steroid (
CHEBI:36861
)
shidasterone (
CHEBI:26661
)
is a
2β-hydroxy steroid (
CHEBI:36859
)
shidasterone (
CHEBI:26661
)
is a
20-hydroxy steroid (
CHEBI:36854
)
shidasterone (
CHEBI:26661
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
shidasterone (
CHEBI:26661
)
is a
6-oxo steroid (
CHEBI:36883
)
shidasterone (
CHEBI:26661
)
is a
phytoecdysteroid (
CHEBI:26118
)
IUPAC Name
2β,3β,14,20-tetrahydroxy-22,25-epoxy-5β-cholest-7-en-6-one
Synonym
Source
22,25-Oxido-5beta-cholest-7-en-6-one-2beta,3beta,14alpha,20-tetrol
ChemIDplus
Registry Number
Type
Source
26361-67-1
CAS Registry Number
ChemIDplus
Last Modified
07 December 2007