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(Q105100168)
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English
1-[(5aS,7R,9aS,11aS)-7-hydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethanone
group of stereoisomers with the chemical formula C₂₁H₃₄O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
pregnane steroid
1 reference
inferred from
pregnane steroid
mass
318.255880328
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₃₄O₂
0 references
canonical SMILES
O=C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
0 references
isomeric SMILES
CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
0 references
Identifiers
InChI
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
0 references
InChIKey
AURFZBICLPNKBZ-SUZPBREPSA-N
0 references
PubChem CID
16760287
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
72224
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN_NPDepo-CB000363
1 reference
InChIKey
AURFZBICLPNKBZ-SUZPBREPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA03237
1 reference
InChIKey
AURFZBICLPNKBZ-SUZPBREPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA03238
1 reference
InChIKey
AURFZBICLPNKBZ-SUZPBREPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA03239
1 reference
InChIKey
AURFZBICLPNKBZ-SUZPBREPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-RIKEN_NPDepo-NGA03240
1 reference
InChIKey
AURFZBICLPNKBZ-SUZPBREPSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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