(Q104963253)

English

[(1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate

chemical compound

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Statements

instance of

group of stereoisomers

0 references

subclass of

[(10S,12R,16S,17S,18R)-13-ethylidene-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

334.168127944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂N₂O₂

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canonical SMILES

O=C(OC1C2C3C(=CC)CN4C(C5=NC=6C=CC=CC6C51CC42)C3)C

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isomeric SMILES

C/C=C1/CN2[C@H]3C[C@@H]1[C@H]1[C@@H]2C[C@@]2(C3=Nc3ccccc32)[C@@H]1OC(C)=O

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found in taxon

Alstonia yunnanensis

1 reference

stated in

Alkaloids from Roots of Alstonia yunnanensis

Rauvolfia bahiensis

1 reference

stated in

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

Rauvolfia serpentina

1 reference

stated in

New alkaloids of the sarpagine group from Rauvolfia serpentina hairy root culture.

Identifiers

InChI

InChI=1S/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16-,17-,18-,20+,21+/m0/s1

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InChIKey

CLDVMRAEPFQOSD-PCTANZRLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CLDVMRAEPFQOSD-PCTANZRLSA-N

1 reference

(Q104963253)

[(1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate

Statements

Identifiers

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