(Q104397941)

English

methyl (1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-6-methoxy-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

384.204907376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈N₂O₄

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canonical SMILES

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

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isomeric SMILES

COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2cc(OC)ccc12)C3

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found in taxon

Tabernaemontana divaricata

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stated in

Indole alkaloids from Tabernaemontana divaricata

Tabernaemontana calcarea

2 references

stated in

New Cytotoxic Indole Alkaloids from Tabernaemontana calcarea from the Madagascar Rainforest

stated in

New Cytotoxic Indole Alkaloids fromTabernaemontana calcareafrom the Madagascar Rainforest.

Tabernaemontana corymbosa

1 reference

stated in

Five new iboga alkaloids from Tabernaemontana corymbosa

Tabernaemontana solanifolia

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stated in

Indole alkaloids from Peschiera campestris

Tabernaemontana bovina

1 reference

stated in

Bis-indole alkaloids from Tabernaemontana bovina

Identifiers

InChI

InChI=1S/C22H28N2O4/c1-12(25)17-8-13-10-22(21(26)28-3)19-16(6-7-24(11-13)20(17)22)15-5-4-14(27-2)9-18(15)23-19/h4-5,9,12-13,17,20,23,25H,6-8,10-11H2,1-3H3/t12-,13+,17+,20-,22+/m0/s1

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InChIKey

XGWIRMWTCWJZPG-GIBYXBIVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XGWIRMWTCWJZPG-GIBYXBIVSA-N

1 reference

(Q104397941)

methyl (1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-6-methoxy-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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