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2beta-hydroxytestosterone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-hydroxytestosterone
0 references
acyloin
0 references
mass
304.20384475599997
dalton
2 references
based on heuristic
inferred from SMILES
based on heuristic
inferred from isomeric SMILES
stereoisomer of
2alpha-hydroxytestosterone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₈O₃
0 references
canonical SMILES
CC12CC(O)C(=O)C=C1CCC1C2CCC2(C)C(O)CCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)[C@H](C[C@]34C)O
0 references
Identifiers
InChI
InChI=1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18-,19-/m0/s1
0 references
InChIKey
ZOIPFFUVGMVQGE-LXKHFVGGSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
CAS Registry Number
10390-14-4
1 reference
InChIKey
ZOIPFFUVGMVQGE-LXKHFVGGSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=10390-14-4
PubChem CID
14311667
1 reference
matched by identifier from
InChIKey
InChIKey
ZOIPFFUVGMVQGE-LXKHFVGGSA-N
Reaxys registry number
2625792
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
137077
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18-,19-/m0/s1
UniChem compound ID
9573153
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30558781
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
ZOIPFFUVGMVQGE-LXKHFVGGSA-N
DSSTOX compound identifier
DTXCID80509561
0 references
LIPID MAPS ID
LMST02020144
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
15 April 2024
InChIKey
ZOIPFFUVGMVQGE-LXKHFVGGSA-N
based on heuristic
InChIKey match
SwissLipids ID
SLM:000597846
1 reference
matched by identifier from
InChIKey
InChIKey
ZOIPFFUVGMVQGE-LXKHFVGGSA-N
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