(Q82962148)

English

2-[6-Methoxy-17-methyl-3-(2-phenylethoxy)-4,5-epoxy-6,14-ethenomorphinan-7-yl]-4-phenylbutan-2-ol

group of stereoisomers with the chemical formula C₃₈H₄₃NO₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

577.3192088559999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₃NO₄

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based on heuristic

inferred from SMILES

canonical SMILES

COC12C=CC3(CC1C(C)(O)CCc1ccccc1)C1Cc4ccc(OCCc5ccccc5)c5c4C3(CCN1C)C2O5

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CO[C@@]12C=CC3(C[C@@H]1[C@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(OCCc5ccccc5)c5c4[C@@]3(CCN1C)[C@H]2O5

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C38H43NO4/c1-35(40,18-16-26-10-6-4-7-11-26)30-25-36-19-20-38(30,41-3)34-37(36)21-22-39(2)31(36)24-28-14-15-29(33(43-34)32(28)37)42-23-17-27-12-8-5-9-13-27/h4-15,19-20,30-31,34,40H,16-18,21-25H2,1-3H3/t30-,31-,34-,35-,36?,37+,38+/m1/s1

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InChIKey

ONYVGBYAAACXEK-SMKXXPDZSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ONYVGBYAAACXEK-SMKXXPDZSA-N

1 reference

1 reference

matched by identifier from

InChIKey

ONYVGBYAAACXEK-SMKXXPDZSA-N

DSSTOX compound identifier

DTXCID101404446

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(Q82962148)

2-[6-Methoxy-17-methyl-3-(2-phenylethoxy)-4,5-epoxy-6,14-ethenomorphinan-7-yl]-4-phenylbutan-2-ol

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