(Q104996811)

English

Tropane-3alpha,6beta-diol 3-(phenylacetate)6-(3,4,5-trimethoxycinnamate)

group of stereoisomers with the chemical formula C₂₈H₃₃NO₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

495.225702396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₃NO₇

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canonical SMILES

O=C(OC1CC2N(C)C1CC(OC(=O)CC=3C=CC=CC3)C2)C=CC4=CC(OC)=C(OC)C(OC)=C4

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isomeric SMILES

COc1cc(/C=C/C(=O)O[C@H]2CC3C[C@H](OC(=O)Cc4ccccc4)CC2N3C)cc(OC)c1OC

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found in taxon

Erythroxylum pervillei

1 reference

stated in

Modulation of the multidrug-resistance phenotype by new tropane alkaloid aromatic esters from Erythroxylum pervillei

Identifiers

InChI

InChI=1S/C28H33NO7/c1-29-20-15-21(35-27(31)14-18-8-6-5-7-9-18)17-22(29)23(16-20)36-26(30)11-10-19-12-24(32-2)28(34-4)25(13-19)33-3/h5-13,20-23H,14-17H2,1-4H3/b11-10+/t20?,21-,22?,23-/m0/s1

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InChIKey

FKUUUFHXKIFGSF-BFKYYIPTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FKUUUFHXKIFGSF-BFKYYIPTSA-N

1 reference

(Q104996811)

Tropane-3alpha,6beta-diol 3-(phenylacetate)6-(3,4,5-trimethoxycinnamate)

Statements

Identifiers

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