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(Q105237557)
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English
retroprogesterone
group of stereoisomers with the chemical formula C₂₁H₃₀O₂
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No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
pregnane steroid
1 reference
inferred from
pregnane steroid
mass
314.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₂
0 references
canonical SMILES
O=C1C=C2CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1
0 references
Identifiers
InChI
InChI=1S/C21H30O2/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/h12,16-19H,4-11H2,1-3H3
0 references
InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N
0 references
PubChem CID
4920
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N
ChEBI ID
181131
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H30O2/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/h12,16-19H,4-11H2,1-3H3
UniChem compound ID
1167468
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-CASMI_2016-SM872401
1 reference
InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-PFOS_research_group-FFF00200
1 reference
InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-PFOS_research_group-FFF00201
1 reference
InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-PFOS_research_group-FFF00202
1 reference
InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-PFOS_research_group-FFF00203
1 reference
InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-PFOS_research_group-FFF00204
1 reference
InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-PFOS_research_group-FFF00205
1 reference
InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-PFOS_research_group-FFF00206
1 reference
InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
NMRShiftDB structure ID
10016301
1 reference
matched by identifier from
InChIKey
InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N
Probes And Drugs ID
PD046053
0 references
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