petasitenine (Q27107643)

inferred from SMILES

mass

381.178752±0 dalton

1 reference

PETASITENINE (English)

(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

5 October 2016

stereoisomer of

2 references

2 references

(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

(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

2 references

(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

1 reference

(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

1 reference

(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

1 reference

chemical formula

C₁₉H₂₇NO₇

1 reference

PETASITENINE (English)

20 November 2016

canonical SMILES

CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C

1 reference

PETASITENINE (English)

20 November 2016

isomeric SMILES

C[C@@H]1C[C@@]2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)O)C

1 reference

PETASITENINE (English)

20 November 2016

found in taxon

Pittocaulon bombycophole

1 reference

Pyrrolizidine alkaloids of the endemic Mexican genus Pittocaulon and assignment of stereoisomeric 1,2-saturated necine bases

Pittocaulon hintonii

1 reference

Pyrrolizidine alkaloids of the endemic Mexican genus Pittocaulon and assignment of stereoisomeric 1,2-saturated necine bases

Petasites japonicus

1 reference

Separation and determination of macrocyclic pyrrolizidine alkaloids of the otonecine type present in the edible plant Petasites japonicus by reversed-phase high-performance liquid chromatography

Farfugium japonicum

1 reference

Isolation of Petasitenine, a Carcinogenic Pyrrolizidine Alkaloid from Farfugium japonicum

Senecio subulatus

1 reference

Sesquiterpenes with New Carbon Skeletons, Furoeremophilanes, Secoeremophilanes and other Constituents from Argentinian Senecio Species

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-/m1/s1

1 reference

PETASITENINE (English)

CZQLULNMKQAIQL-PFDMWMSASA-N

20 November 2016

InChIKey

2 references

PETASITENINE (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

60102-37-6

2 references

Global Substance Registration System

UNII

737TK4X375

petasitenine (English)

CZQLULNMKQAIQL-PFDMWMSASA-N

20 November 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=60102-37-6

1 reference

(1R,3'R,4R,6R,7R,11Z)-7-Hydroxy-3',6,7,14-tetramethyl-8H,17H-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione (English)

20 November 2016

2 references