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(Q106040014)
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English
(3R,5R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
chemical compound
8-(3-hydroxypropyl)-7-methylpteridine-2,4(3H,8H)-dione
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Statements
instance of
type of chemical entity
0 references
subclass of
sterol
1 reference
based on heuristic
inferred from SMILES
mass
292.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
5α-androstene-3β,17β-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
5α-androstan-3β,17α-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
5β-androstane-3α,17α-diol
1 reference
based on heuristic
inferred from InChI
etiocholanediol
1 reference
based on heuristic
inferred from InChI
3β-androstanediol
1 reference
based on heuristic
inferred from InChI
3α-androstanediol
1 reference
based on heuristic
inferred from InChI
(3α,5α,17α)-androstane-3,17-diol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₃₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC12CC[C@@H](O)C[C@H]1CCC1C2CCC2(C)C1CC[C@@H]2O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14?,15?,16?,17+,18?,19?/m1/s1
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
CBMYJHIOYJEBSB-GCFMDFLISA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
6432196
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
InChIKey
InChIKey
CBMYJHIOYJEBSB-GCFMDFLISA-N
ChEBI ID
143738
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14?,15?,16?,17+,18?,19?/m1/s1
UniChem compound ID
67675170
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-PFOS_research_group-FFF00145
1 reference
InChIKey
CBMYJHIOYJEBSB-GCFMDFLISA-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-FFF00146
1 reference
InChIKey
CBMYJHIOYJEBSB-GCFMDFLISA-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-FFF00147
1 reference
InChIKey
CBMYJHIOYJEBSB-GCFMDFLISA-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-FFF00148
1 reference
InChIKey
CBMYJHIOYJEBSB-GCFMDFLISA-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-FFF00149
1 reference
InChIKey
CBMYJHIOYJEBSB-GCFMDFLISA-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-FFF00150
1 reference
InChIKey
CBMYJHIOYJEBSB-GCFMDFLISA-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-FFF00151
1 reference
InChIKey
CBMYJHIOYJEBSB-GCFMDFLISA-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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