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> Main
CHEBI:79965 - 3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol
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ChEBI Name
3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol
ChEBI ID
CHEBI:79965
Stars
This entity has been manually annotated by a third party.
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Formula
C21H30O2
Net Charge
0
Average Mass
314.46170
Monoisotopic Mass
314.22458
InChI
InChI=1S/C21H30O2/c1-
4-
20(23)
10-
7-
15-
14-
11-
17(22)
21-
12-
13(21)
5-
8-
19(21,3)
16(14)
6-
9-
18(15,20)
2/h1,13-
17,22-
23H,5-
12H2,2-
3H3/t13?,14-
,15-
,16-
,17+,18-
,19+,20-
,21?/m0/s1
InChIKey
WKAFEMWJRKMDQQ-QRNXFCNESA-N
SMILES
C[C@]12CCC3CC13[C@H](O)C[C@H]1[C@@H]3CC[C@@](O)(C#C)[C@@]3(C)CC[C@H]21
ChEBI Ontology
Outgoing
3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol (
CHEBI:79965
)
is a
androstanoid (
CHEBI:50402
)
Manual Xref
Database
C15468
KEGG COMPOUND
View more database links
Registry Number
Type
Source
7253-33-0
CAS Registry Number
KEGG COMPOUND