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(Q82915388)
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English
4,9-Cyclo-9,10-secopregna-1,3,5(10)-trien-20-yne-11,17-diol
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
310.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C#CC1(O)CCC2C3CCc4c(C)cccc4C3C(O)CC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C#CC1(O)CC[C@H]2[C@@H]3CCc4c(C)cccc4[C@H]3[C@@H](O)C[C@@]21C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H26O2/c1-4-21(23)11-10-17-16-9-8-14-13(2)6-5-7-15(14)19(16)18(22)12-20(17,21)3/h1,5-7,16-19,22-23H,8-12H2,2-3H3/t16-,17-,18-,19+,20-,21?/m0/s1
0 references
InChIKey
PWBBFICMWVYNPH-OBFNCUKESA-N
0 references
CAS Registry Number
17753-11-6
0 references
PubChem CID
167675
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57850793
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40938959
0 references
DSSTOX compound identifier
DTXCID301367474
0 references
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