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(Q82913258)
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English
14-(2-Hydroxypentan-2-yl)-7-methoxy-3-(prop-2-en-1-yl)-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
437.2566086
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₅NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CCN1CCC23c4c5ccc(O)c4OC2C2(OC)C=CC3(CC2C(C)(O)CCC)C1C5
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=CCN1CCC23c4c5ccc(O)c4OC2C2(OC)C=CC3(CC2[C@](C)(O)CCC)C1C5
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H35NO4/c1-5-9-24(3,30)19-16-25-10-11-27(19,31-4)23-26(25)12-14-28(13-6-2)20(25)15-17-7-8-18(29)22(32-23)21(17)26/h6-8,10-11,19-20,23,29-30H,2,5,9,12-16H2,1,3-4H3/t19?,20?,23?,24-,25?,26?,27?/m1/s1
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InChIKey
OSQIRUUENNTOQL-MWFGDBNCSA-N
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CAS Registry Number
16528-17-9
0 references
PubChem CID
72090
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66003886
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90937058
0 references
DSSTOX compound identifier
DTXCID901365640
0 references
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