(Q105233577)

English

methyl (1S,12S,13R,14S,15Z)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

chemical compound

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type of chemical entity

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1 reference

methyl (12S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

1 reference

1 reference

1 reference

methyl (1S,12S,14R,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraene-13-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

352.178692628 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,12S,13S,14S,15Z)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

1 reference

1 reference

C₂₁H₂₄N₂O₃

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canonical SMILES

O=C(OC)C1(CO)C2C(=CC)CN3C(C=4NC=5C=CC=CC5C4CC31)C2

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isomeric SMILES

C/C=C1\CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12

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found in taxon

Gelsemium elegans

2 references

stated in

Indole alkaloids isolated from Gelsemium elegans (Thailand): 19-(Z)-akuammidine, 16-epi-voacarpine, 19-hydroxydihydrogelsevirine, and the revised structure of koumidine.

stated in

Four novel gelsedine-type oxindole alkaloids from Gelsemium elegans

Identifiers

InChI

InChI=1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3/b12-3+/t15-,17-,18-,21+/m0/s1

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InChIKey

RCEFXZXHYFOPIE-ALIRTINDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RCEFXZXHYFOPIE-ALIRTINDSA-N

(Q105233577)

methyl (1S,12S,13R,14S,15Z)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

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