(Q82995669)

English

Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-

chemical compound

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Statements

instance of

group of stereoisomers

0 references

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=CC(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]c5ccc(OC)cc5c4CCN(C2O)[C@@H]13

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found in taxon

Tabernaemontana catharinensis

1 reference

stated in

Qualitative determination of indole alkaloids, triterpenoids and steroids of Tabernaemontana hilariana

Tabernaemontana grandiflora

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stated in

Alkaloids of Stemmadenia grandiflora

Tabernaemontana sphaerocarpa

1 reference

stated in

Biscarpamontamines A and B, an aspidosperma-iboga bisindole alkaloid and an aspidosperma-aspidosperma bisindole alkaloid, from Tabernaemontana sphaerocarpa

Identifiers

InChI

InChI=1S/C22H28N2O4/c1-4-12-9-13-11-22(21(26)28-3)18-15(7-8-24(19(12)22)20(13)25)16-10-14(27-2)5-6-17(16)23-18/h5-6,10,12-13,19-20,23,25H,4,7-9,11H2,1-3H3/t12-,13+,19-,20?,22+/m0/s1

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InChIKey

KKXUQVVFJINTEP-KAVGIQKJSA-N

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0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KKXUQVVFJINTEP-KAVGIQKJSA-N

1 reference

1 reference

matched by identifier from

InChIKey

KKXUQVVFJINTEP-KAVGIQKJSA-N

DSSTOX compound identifier

DTXCID201428617

0 references

(Q82995669)

Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-

Statements

Identifiers

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