(Q105033402)

English

(1R,9R,10S,12R,13E,16S,17S,18R)-13-ethylidene-6-methoxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-ol

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

ajmaline alkaloid

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mass

324.183778008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄N₂O₂

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canonical SMILES

OC1C2C3C(=CC)CN4C(C3)C5NC=6C(OC)=CC=CC6C15CC42

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isomeric SMILES

C/C=C1/CN2[C@H]3C[C@@]45c6cccc(OC)c6N[C@H]4[C@@H]2C[C@@H]1[C@@H]3[C@H]5O

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found in taxon

Rauvolfia bahiensis

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stated in

Indole alkaloids from Rauvolfia bahiensis A.DC. (Apocynaceae).

Citharexylum

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stated in

Na-demethyl-purpeline and Na-demethyl-dihydropurpeline, new alkaloids from Rauwolfia cumminsii Stapf

Catharanthus roseus

1 reference

stated in

Identification, characterization and distribution of terpene indole alkaloids in ethanolic extracts of Catharanthus roseus using high-performance liquid chromatography/electrospray ionization quadrupole time-of-flight tandem mass spectrometry and th

Identifiers

InChI

InChI=1S/C20H24N2O2/c1-3-10-9-22-13-7-11(10)16-14(22)8-20(19(16)23)12-5-4-6-15(24-2)17(12)21-18(13)20/h3-6,11,13-14,16,18-19,21,23H,7-9H2,1-2H3/b10-3-/t11-,13-,14-,16-,18-,19+,20+/m0/s1

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InChIKey

HTETYMBEAKZXSG-XCYILSNOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HTETYMBEAKZXSG-XCYILSNOSA-N

(Q105033402)

(1R,9R,10S,12R,13E,16S,17S,18R)-13-ethylidene-6-methoxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-18-ol

Statements

Identifiers

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