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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:15578 - (25
S
)-5β-spirostan-3β-ol
Main
ChEBI Ontology
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ChEBI Name
(25
S
)-5β-spirostan-3β-ol
ChEBI ID
CHEBI:15578
ChEBI ASCII Name
(25S)-5beta-spirostan-3beta-ol
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10854, CHEBI:18537, CHEBI:178
Supplier Information
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Formula
C27H44O3
Net Charge
0
Average Mass
416.63646
Monoisotopic Mass
416.32905
InChI
InChI=1S/C27H44O3/c1-
16-
7-
12-
27(29-
15-
16)
17(2)
24-
23(30-
27)
14-
22-
20-
6-
5-
18-
13-
19(28)
8-
10-
25(18,3)
21(20)
9-
11-
26(22,24)
4/h16-
24,28H,5-
15H2,1-
4H3/t16-
,17-
,18+,19-
,20+,21-
,22-
,23-
,24-
,25-
,26-
,27+/m0/s1
InChIKey
GMBQZIIUCVWOCD-WWASVFFGSA-N
SMILES
[H]
[C@]
12CC[C@]
3([H]
)
[C@]
([H]
)
(CC[C@@]
4(C)
[C@@]
3([H]
)
C[C@]
3([H]
)
O[C@]
5(CC[C@H]
(C)
CO5)
[C@@H]
(C)
[C@]
43[H]
)
[C@@]
1(C)
CC[C@H]
(O)
C2
ChEBI Ontology
Outgoing
(25
S
)-5β-spirostan-3β-ol (
CHEBI:15578
)
is a
sapogenin (
CHEBI:26606
)
Incoming
(25
S
)-5β-spirostan-3β-yl β-
D
-glucoside (
CHEBI:15579
)
has functional parent
(25
S
)-5β-spirostan-3β-ol (
CHEBI:15578
)
asparagoside F (
CHEBI:134508
)
has functional parent
(25
S
)-5β-spirostan-3β-ol (
CHEBI:15578
)
IUPAC Name
(25
S
)-5β-spirostan-3β-ol
Synonyms
Sources
(25S)-5beta-Spirostan-3beta-ol
KEGG COMPOUND
(25S)-5beta-spirostan-3beta-ol
ChEBI
(25
S
)-5β-spirostan-3β-ol
UniProt
(3β,5β,25
S
)-spirostan-3-ol
ChemIDplus
Parigenin
ChemIDplus
Sarsasapogenin
KEGG COMPOUND
Manual Xrefs
Databases
C00003590
KNApSAcK
C03963
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
126-19-2
CAS Registry Number
KEGG COMPOUND
126-19-2
CAS Registry Number
ChemIDplus
91757
Beilstein Registry Number
Beilstein
Last Modified
13 November 2017