(Q105366296)

English

[(1S,8R,9R,12S,13R)-12-acetyloxy-3,8-dihydroxy-4,11-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-13-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

433.173666824 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₇NO₈

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canonical SMILES

O=C(OC1C(OC)=C2C3NCCC2(C4=C(O)C(OC)=CC=C4C3O)CC1OC(=O)C)C

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isomeric SMILES

COC1=C2[C@H]3NCC[C@]2(C[C@@H](OC(C)=O)[C@@H]1OC(C)=O)c1c(ccc(OC)c1O)[C@H]3O

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found in taxon

Stephania tetrandra

1 reference

stated in

New Alkaloids from the Root of Stephania tetrandra (Fen-Fang-Ji)

Identifiers

InChI

InChI=1S/C22H27NO8/c1-10(24)30-14-9-22-7-8-23-17(16(22)21(29-4)20(14)31-11(2)25)18(26)12-5-6-13(28-3)19(27)15(12)22/h5-6,14,17-18,20,23,26-27H,7-9H2,1-4H3/t14-,17-,18-,20+,22+/m1/s1

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InChIKey

YVYLKUBETBPYFU-LCYWIJLYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YVYLKUBETBPYFU-LCYWIJLYSA-N

1 reference

(Q105366296)

[(1S,8R,9R,12S,13R)-12-acetyloxy-3,8-dihydroxy-4,11-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-13-yl] acetate

Statements

Identifiers

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