(Q105000101)

English

methyl (1S,17R,18S)-17-(2-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

group of stereoisomers with the chemical formula C₂₁H₂₆N₂O₃

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Statements

instance of

group of stereoisomers

0 references

1 reference

354.194342692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆N₂O₃

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canonical SMILES

O=C(OC)C12C=3NC=4C=CC=CC4C3CCN5CC(CC(CCO)C51)C2

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isomeric SMILES

COC(=O)[C@@]12CC3C[C@H](CCO)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3

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found in taxon

Tabernaemontana undulata

1 reference

stated in

Phytochemical investigation of Tabernaemontana crassa

Identifiers

InChI

InChI=1S/C21H26N2O3/c1-26-20(25)21-11-13-10-14(7-9-24)19(21)23(12-13)8-6-16-15-4-2-3-5-17(15)22-18(16)21/h2-5,13-14,19,22,24H,6-12H2,1H3/t13?,14-,19-,21+/m0/s1

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InChIKey

FRCVRUHRFLXLAI-HVQMCIIXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FRCVRUHRFLXLAI-HVQMCIIXSA-N

1 reference

(Q105000101)

methyl (1S,17R,18S)-17-(2-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

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Identifiers

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