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ChEBI
> Main
CHEBI:35370 - (25
R
)-5β-spirostan-1β,3α-diol
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ChEBI Ontology
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ChEBI Name
(25
R
)-5β-spirostan-1β,3α-diol
ChEBI ID
CHEBI:35370
ChEBI ASCII Name
(25R)-5beta-spirostan-1beta,3alpha-diol
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H44O4
Net Charge
0
Average Mass
432.63586
Monoisotopic Mass
432.32396
InChI
InChI=1S/C27H44O4/c1-
15-
7-
10-
27(30-
14-
15)
16(2)
24-
22(31-
27)
13-
21-
19-
6-
5-
17-
11-
18(28)
12-
23(29)
26(17,4)
20(19)
8-
9-
25(21,24)
3/h15-
24,28-
29H,5-
14H2,1-
4H3/t15-
,16+,17-
,18+,19-
,20+,21+,22+,23-
,24+,25+,26+,27-
/m1/s1
InChIKey
NCLLSOCDVMFDSK-FQXYYZOXSA-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)
[C@H]
(O)
C[C@@H]
(O)
C2
ChEBI Ontology
Outgoing
(25
R
)-5β-spirostan-1β,3α-diol (
CHEBI:35370
)
is a
sapogenin (
CHEBI:26606
)
IUPAC Name
(25
R
)-5β-spirostan-1β,3α-diol
Synonym
Source
(25
R
)-5β-spirostane-1β,3α-diol
ChEBI
Last Modified
11 décembre 2006
General Comment
2006-03-20
As reported in
New J. Chem.
, 2006,
30
, 197-207. The possibility of the reported compound being the enantiomer, (25
S
)-5α-spirostan-1α,3β-diol, cannot be discounted.