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(Q4938924)
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Bolandiol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
estrane steroid
1 reference
based on heuristic
inferred from SMILES
chemical structure
Bolandiol.svg
512 × 311; 18 KB
0 references
mass
276.208930136
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₂₈O₂
1 reference
stated in
PubChem
canonical SMILES
CC12CCC3C4CCC(O)C=C4CCC3C1CCC2O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O[C@@H]4/C=C2\[C@@H]([C@H]1CC[C@@]3([C@@H](O)CC[C@H]3[C@@H]1CC2)C)CC4
1 reference
imported from Wikimedia project
English Wikipedia
Identifiers
InChI
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1
1 reference
stated in
PubChem
InChIKey
CMXKUJNZWYTFJN-XFUVECHXSA-N
1 reference
stated in
PubChem
CAS Registry Number
19793-20-5
2 references
imported from Wikimedia project
English Wikipedia
InChIKey
CMXKUJNZWYTFJN-XFUVECHXSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=19793-20-5
ChemSpider ID
8011024
1 reference
imported from Wikimedia project
English Wikipedia
PubChem CID
9835303
2 references
imported from Wikimedia project
English Wikipedia
matched by identifier from
InChIKey
InChIKey
CMXKUJNZWYTFJN-XFUVECHXSA-N
ChEBI ID
145661
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1
ChEMBL ID
CHEMBL2106664
1 reference
imported from Wikimedia project
Japanese Wikipedia
SureChEMBL ID
SCHEMBL547771
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CMXKUJNZWYTFJN-XFUVECHXSA-N
UniChem compound ID
197003
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID9041027
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
CMXKUJNZWYTFJN-XFUVECHXSA-N
DSSTOX compound identifier
DTXCID7021027
0 references
DrugBank ID
01554
2 references
stated in
DrugBank
DrugBank ID
01554
retrieved
6 July 2021
quotation
CAS no.: 19793-20-5
(English)
title
Bolandiol
(English)
matched by identifier from
InChIKey
InChIKey
CMXKUJNZWYTFJN-XFUVECHXSA-N
UNII
49SD6G16U5
1 reference
matched by identifier from
InChIKey
InChIKey
CMXKUJNZWYTFJN-XFUVECHXSA-N
Probes And Drugs ID
PD060339
0 references
Freebase ID
/m/0k8rbl_
0 references
Microsoft Academic ID
2775918662
0 references
Sitelinks
Wikipedia
(8 entries)
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Bolandiol
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Bolandiol
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Bolandiol
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勃雄二醇
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