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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:28485 - polypodine B
Main
ChEBI Ontology
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ChEBI Name
polypodine B
ChEBI ID
CHEBI:28485
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:8316, CHEBI:26198
Supplier Information
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Formulae
C27H44O8
C27H44O8
Net Charge
0
Average Mass
496.63350
Monoisotopic Mass
496.30362
InChI
InChI=1S/C27H44O8/c1-
22(2,32)
9-
8-
20(30)
25(5,33)
19-
7-
11-
26(34)
16-
12-
21(31)
27(35)
14-
18(29)
17(28)
13-
24(27,4)
15(16)
6-
10-
23(19,26)
3/h12,15,17-
20,28-
30,32-
35H,6-
11,13-
14H2,1-
5H3/t15-
,17-
,18+,19-
,20+,23+,24+,25+,26+,27+/m0/s1
InChIKey
GMFLGNRCCFYOKL-ACCCYTKYSA-N
SMILES
CC(C)
(O)
CC[C@@H]
(O)
[C@]
(C)
(O)
[C@H]
1CC[C@@]
2(O)
C3=CC(=O)
[C@]
4(O)
C[C@@H]
(O)
[C@@H]
(O)
C[C@]
4(C)
[C@H]
3CC[C@]
12C
ChEBI Ontology
Outgoing
polypodine B (
CHEBI:28485
)
is a
14α-hydroxy steroid (
CHEBI:36861
)
polypodine B (
CHEBI:28485
)
is a
2β-hydroxy steroid (
CHEBI:36859
)
polypodine B (
CHEBI:28485
)
is a
20-hydroxy steroid (
CHEBI:36854
)
polypodine B (
CHEBI:28485
)
is a
22-hydroxy steroid (
CHEBI:36863
)
polypodine B (
CHEBI:28485
)
is a
26-hydroxy steroid (
CHEBI:36852
)
polypodine B (
CHEBI:28485
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
polypodine B (
CHEBI:28485
)
is a
5β-hydroxy steroid (
CHEBI:38195
)
polypodine B (
CHEBI:28485
)
is a
6-oxo steroid (
CHEBI:36883
)
polypodine B (
CHEBI:28485
)
is a
phytoecdysteroid (
CHEBI:26118
)
polypodine B (
CHEBI:28485
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
IUPAC Name
(2β,3β,5β,22
R
)-2,3,5,14,20,22,25-heptahydroxycholest-7-en-6-one
Synonyms
Sources
2β,3β,5β,14,20,22
R
,25-heptahydroxycholest-7-en-6-one
ChemIDplus
Polypodine B
KEGG COMPOUND
Manual Xrefs
Databases
C00003666
KNApSAcK
C08834
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
18069-14-2
CAS Registry Number
ChemIDplus
4770654
Beilstein Registry Number
Beilstein
Last Modified
07 February 2018