(Q82913563)

English

7-(1-Cyclohexyl-1-hydroxyethyl)-6-methoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan-3-ol

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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451.272258664 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₇NO₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COC12C=CC3(CC1C(C)(O)C1CCCCC1)C1Cc4ccc(O)c5c4C3(CCN1C)C2O5

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CO[C@@]12C=CC3(C[C@@H]1C(C)(O)C1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C28H37NO4/c1-25(31,18-7-5-4-6-8-18)20-16-26-11-12-28(20,32-3)24-27(26)13-14-29(2)21(26)15-17-9-10-19(30)23(33-24)22(17)27/h9-12,18,20-21,24,30-31H,4-8,13-16H2,1-3H3/t20-,21-,24-,25?,26?,27+,28+/m1/s1

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SHOLSAOUSMCLOR-HGRVVPQMSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID201365920

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