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(Q83071788)
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English
Ajmalan-17(S),21alpha-diol
group of stereoisomers with the chemical formula C₂₀H₂₆N₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
LSM-21654
1 reference
based on heuristic
inferred from SMILES
(13S,14R,18S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-14,18-diol
1 reference
based on heuristic
inferred from SMILES
mass
326.199428072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)N3C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2[C@@H]5O)N3[C@@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16?,17-,18-,19+,20+/m0/s1
0 references
InChIKey
CJDRUOGAGYHKKD-NNAJWNLHSA-N
0 references
CAS Registry Number
509-37-5
0 references
PubChem CID
11972341
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
30920986
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50198921
0 references
DSSTOX compound identifier
DTXCID10121412
0 references
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