(Q82900226)

English

5-[17-(Cyclopropylmethyl)-3-hydroxy-6-methoxy-4,5-epoxy-6,14-ethenomorphinan-7-yl]-3-methylideneoxolan-2-one

group of stereoisomers with the chemical formula C₂₈H₃₁NO₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

461.22022309199997 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₁NO₅

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based on heuristic

inferred from SMILES

canonical SMILES

C=C1CC(C2CC34C=CC2(OC)C2Oc5c(O)ccc6c5C23CCN(CC2CC2)C4C6)OC1=O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C=C1C[C@H]([C@H]2CC34C=C[C@@]2(OC)[C@@H]2Oc5c(O)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)OC1=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C28H31NO5/c1-15-11-20(33-24(15)31)18-13-26-7-8-28(18,32-2)25-27(26)9-10-29(14-16-3-4-16)21(26)12-17-5-6-19(30)23(34-25)22(17)27/h5-8,16,18,20-21,25,30H,1,3-4,9-14H2,2H3/t18-,20-,21-,25-,26?,27+,28+/m1/s1

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InChIKey

OZWOAKUHWIGMQA-XXEDLTEQSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID401354622

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(Q82900226)

5-[17-(Cyclopropylmethyl)-3-hydroxy-6-methoxy-4,5-epoxy-6,14-ethenomorphinan-7-yl]-3-methylideneoxolan-2-one

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