(Q105265131)

English

methyl (1S,15S,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

iboga alkaloid

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mass

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(O)=CC4C3CCN5CC(CC(CC)C51)C2

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isomeric SMILES

CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@](C(=O)OC)(C2)[C@H]13

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found in taxon

Tabernaemontana cymosa

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stated in

Alkaloids and other compounds from seeds of Tabernaemontana cymosa

Tabernaemontana penduliflora

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stated in

Isolation of 10-hydroxycoronaridine from Tabernaemontana penduliflora and its estrogen-like activity.

Tabernaemontana ventricosa

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stated in

Alkaloids of Tabernaemontana ventricosa

Tabernaemontana bufalina

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stated in

Indole alkaloids from Ervatamia hainanensis with potent acetylcholinesterase inhibition activities

Identifiers

InChI

InChI=1S/C21H26N2O3/c1-3-13-8-12-10-21(20(25)26-2)18-15(6-7-23(11-12)19(13)21)16-9-14(24)4-5-17(16)22-18/h4-5,9,12-13,19,22,24H,3,6-8,10-11H2,1-2H3/t12-,13-,19-,21+/m0/s1

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InChIKey

TUZCJNZERFWZAS-NBEPNCHPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TUZCJNZERFWZAS-NBEPNCHPSA-N

1 reference

(Q105265131)

methyl (1S,15S,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

Statements

Identifiers

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