(Q105122761)

English

[(1S,3S,5R,6S)-3-[2-(3-hydroxyphenyl)acetyl]oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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1 reference

[3-[2-(3-Hydroxyphenyl)acetyl]oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

511.220617016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₃NO₈

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canonical SMILES

O=C(OC1CC2N(C)C1CC(OC(=O)CC=3C=CC=C(O)C3)C2)C=CC4=CC(OC)=C(OC)C(OC)=C4

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isomeric SMILES

COc1cc(/C=C/C(=O)O[C@H]2C[C@@H]3C[C@H](OC(=O)Cc4cccc(O)c4)C[C@H]2N3C)cc(OC)c1OC

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found in taxon

Erythroxylum pervillei

2 references

stated in

Tropane aromatic ester alkaloids from a large-scale re-collection of Erythroxylum pervillei stem bark obtained in Madagascar.

stated in

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

Identifiers

InChI

InChI=1S/C28H33NO8/c1-29-19-14-21(36-27(32)13-17-6-5-7-20(30)10-17)16-22(29)23(15-19)37-26(31)9-8-18-11-24(33-2)28(35-4)25(12-18)34-3/h5-12,19,21-23,30H,13-16H2,1-4H3/b9-8+/t19-,21-,22+,23-/m0/s1

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InChIKey

IYHVGWKIDIDOTL-JRSUCAPHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IYHVGWKIDIDOTL-JRSUCAPHSA-N

1 reference

(Q105122761)

[(1S,3S,5R,6S)-3-[2-(3-hydroxyphenyl)acetyl]oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

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Identifiers

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