(Q105118953)

English

methyl (1R,9R,11S,14E,15R,17S,19S)-14-ethylidene-6-methoxy-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

368.173607248 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

12-Demethoxytabernulosine

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄N₂O₄

0 references

canonical SMILES

O=C(OC)C1C2C(=CC)CN3C4OC5(NC6=CC=C(OC)C=C6C15C4)C3C2

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isomeric SMILES

C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)ccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@H]5C(=O)OC

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found in taxon

Rauwolfia sellowii

1 reference

stated in

Indole alkaloids from Rauwolfia sellowii

Tabernaemontana glandulosa

1 reference

stated in

Alkaloide in Tabernaemontana-Arten, VIII. Tabernulosin und 12-Demethoxytabernulosin, zwei neue Alkaloide vom Picrinin-Typ ausTabernaemontana glandulosa

Identifiers

InChI

InChI=1S/C21H24N2O4/c1-4-11-10-23-16-8-13(11)18(19(24)26-3)20-9-17(23)27-21(16,20)22-15-6-5-12(25-2)7-14(15)20/h4-7,13,16-18,22H,8-10H2,1-3H3/b11-4-/t13-,16-,17-,18+,20-,21-/m0/s1

0 references

InChIKey

IRMHHGGGRPOHRY-RFAVQBGTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IRMHHGGGRPOHRY-RFAVQBGTSA-N

(Q105118953)

methyl (1R,9R,11S,14E,15R,17S,19S)-14-ethylidene-6-methoxy-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate

Statements

Identifiers

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