(Q105290505)

English

[(1R,3S,16R,17S)-17-ethyl-9-methoxy-5,14-diazapentacyclo[12.4.1.03,16.04,12.06,11]nonadeca-4(12),6(11),7,9-tetraen-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(17-Ethyl-9-methoxy-5,14-diazapentacyclo[12.4.1.03,16.04,12.06,11]nonadeca-4(12),6(11),7,9-tetraen-3-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

368.209992756 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈N₂O₃

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canonical SMILES

O=C(OC12C=3NC=4C=CC(OC)=CC4C3CN5CC(CC(CC)C1C5)C2)C

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isomeric SMILES

CC[C@H]1C[C@H]2CN3Cc4c([nH]c5ccc(OC)cc45)[C@](OC(C)=O)(C2)[C@H]1C3

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found in taxon

Tabernaemontana divaricata

1 reference

stated in

Alkaloids of Tabernaemontana divaricata

Identifiers

InChI

InChI=1S/C22H28N2O3/c1-4-15-7-14-9-22(27-13(2)25)19(15)12-24(10-14)11-18-17-8-16(26-3)5-6-20(17)23-21(18)22/h5-6,8,14-15,19,23H,4,7,9-12H2,1-3H3/t14-,15+,19+,22+/m1/s1

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InChIKey

VOXIUXZAOFEFBL-YARHRQRXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VOXIUXZAOFEFBL-YARHRQRXSA-N

(Q105290505)

[(1R,3S,16R,17S)-17-ethyl-9-methoxy-5,14-diazapentacyclo[12.4.1.03,16.04,12.06,11]nonadeca-4(12),6(11),7,9-tetraen-3-yl] acetate

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