(Q104919755)

English

9beta-Hydroxy-9-hydro-16-dehydro-12-methoxyibogamine-18-carboxylic acid methyl ester

chemical compound

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Statements

instance of

group of stereoisomers

0 references

subclass of

alkaloid

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mass

384.204907376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈N₂O₄

0 references

canonical SMILES

O=C(OC)C12C3=NC=4C=CC(OC)=CC4C3(O)CCN5CC(CC(CC)C51)C2

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isomeric SMILES

CC[C@H]1C[C@H]2CN3CC[C@]4(O)C(=Nc5ccc(OC)cc54)[C@](C(=O)OC)(C2)[C@H]13

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found in taxon

Tabernaemontana divaricata

2 references

stated in

Heyneanine Hydroxyindolenine, A New Indole Alkaloid from Ervatamia coronaria var. plena

stated in

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

Tabernaemontana citrifolia

1 reference

stated in

Studies on Natural Products from Cuban Plants. Alkaloids fromTabernaemontana citrifolia

Identifiers

InChI

InChI=1S/C22H28N2O4/c1-4-14-9-13-11-21(20(25)28-3)18(14)24(12-13)8-7-22(26)16-10-15(27-2)5-6-17(16)23-19(21)22/h5-6,10,13-14,18,26H,4,7-9,11-12H2,1-3H3/t13-,14+,18+,21+,22-/m1/s1

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InChIKey

AVRFPRAAVSCSSZ-RCJJNBIHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AVRFPRAAVSCSSZ-RCJJNBIHSA-N

1 reference

(Q104919755)

9beta-Hydroxy-9-hydro-16-dehydro-12-methoxyibogamine-18-carboxylic acid methyl ester

Statements

Identifiers

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