(Q104915798)

English

[(1R,4Z,6S,7R,11Z)-4-ethylidene-7-hydroxy-7,14-dimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-6-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4-Ethylidene-7-hydroxy-7,14-dimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-6-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

423.189316888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₉NO₈

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canonical SMILES

O=C1OC2C(=O)C(=CCN(C)CC2)COC(=O)C(O)(C)C(COC(=O)C)CC1=CC

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isomeric SMILES

C/C=C1/C[C@@H](COC(C)=O)[C@@](C)(O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O

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found in taxon

Senecio laricifolius

1 reference

stated in

Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species

Identifiers

InChI

InChI=1S/C21H29NO8/c1-5-14-10-16(12-28-13(2)23)21(3,27)20(26)29-11-15-6-8-22(4)9-7-17(18(15)24)30-19(14)25/h5-6,16-17,27H,7-12H2,1-4H3/b14-5-,15-6-/t16-,17+,21+/m0/s1

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InChIKey

AONBPVHVHYWJNZ-CNURWEEHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AONBPVHVHYWJNZ-CNURWEEHSA-N

(Q104915798)

[(1R,4Z,6S,7R,11Z)-4-ethylidene-7-hydroxy-7,14-dimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-6-yl]methyl acetate

Statements

Identifiers

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