(Q104972987)

English

(1R,3'R,4R,6S,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione

chemical compound

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instance of

type of chemical entity

0 references

1 reference

(1R,3'R,6R)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione

1 reference

based on heuristic

inferred from SMILES

7-Hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione

1 reference

based on heuristic

inferred from SMILES

mass

381.178752204 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3'R,4R,6R,7R,11E)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3'S,4S,6R,7R)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3'R,4S,6S,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3'S,4S,6S,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione

1 reference

based on heuristic

inferred from InChI

(1R,3'R,4R,6R,7R)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₇NO₇

0 references

canonical SMILES

O=C1OCC2=CCN(C)CCC(OC(=O)C3(OC3C)CC(C)C1(O)C)C2=O

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isomeric SMILES

C[C@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN(C)C/C=C(/COC(=O)[C@]1(C)O)C2=O

0 references

found in taxon

Petasites japonicus

1 reference

stated in

ISOLATION AND THE STRUCTURES OF TWO NEW ALKALOIDS, PETASITENINE AND NEOPETASITENINE FROMPETASITES JAPONICUSMAXIM.

Identifiers

InChI

InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14+,18+,19+/m0/s1

0 references

InChIKey

CZQLULNMKQAIQL-DCEQPIPLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104972987)

(1R,3'R,4R,6S,7R,11Z)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione

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