(Q110193686)

English

methyl (2S,3R,8S)-7-ethylidene-2-hydroxy-5-methyl-10-oxo-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-3-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

368.173607248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄N₂O₄

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canonical SMILES

O=C(OC)C12CN(C)CC(=CC)C2CC(=O)C=3NC=4C=CC=CC4C3C1O

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isomeric SMILES

CC=C1CN(C)C[C@]2(C(=O)OC)[C@H]1CC(=O)c1[nH]c3ccccc3c1[C@@H]2O

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found in taxon

Tabernaemontana divaricata

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stated in

Indole alkaloids from three species of the Ervatamia genus: E. officinalis, E. divaricata, and E. divaricata Gouyahua.

Identifiers

InChI

InChI=1S/C21H24N2O4/c1-4-12-10-23(2)11-21(20(26)27-3)14(12)9-16(24)18-17(19(21)25)13-7-5-6-8-15(13)22-18/h4-8,14,19,22,25H,9-11H2,1-3H3/t14-,19-,21-/m0/s1

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InChIKey

KYZVNPNCPMAADF-JBYOLUDKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KYZVNPNCPMAADF-JBYOLUDKSA-N

(Q110193686)

methyl (2S,3R,8S)-7-ethylidene-2-hydroxy-5-methyl-10-oxo-5,12-diazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),13,15,17-tetraene-3-carboxylate

Statements

Identifiers

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