(Q105327498)

English

methyl (1S,14R,15R,17S,18S)-17-ethyl-14-hydroxy-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

chemical compound

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Statements

instance of

group of stereoisomers

0 references

subclass of

iboga alkaloid

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mass

414.21547206 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₀N₂O₅

0 references

canonical SMILES

O=C(OC)C12C=3NC=4C=C(OC)C(OC)=CC4C3CCN5C(O)C(CC(CC)C51)C2

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isomeric SMILES

CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)c(OC)cc5c4CCN([C@@H]13)[C@@H]2O

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found in taxon

Tabernaemontana bovina

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C23H30N2O5/c1-5-12-8-13-11-23(22(27)30-4)19-14(6-7-25(20(12)23)21(13)26)15-9-17(28-2)18(29-3)10-16(15)24-19/h9-10,12-13,20-21,24,26H,5-8,11H2,1-4H3/t12-,13+,20-,21+,23+/m0/s1

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InChIKey

XGCPCTTUHAFXHF-GGWCBSOGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XGCPCTTUHAFXHF-GGWCBSOGSA-N

(Q105327498)

methyl (1S,14R,15R,17S,18S)-17-ethyl-14-hydroxy-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

Statements

Identifiers

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