petasitenine (Q27107643)

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chemical compound

Language	Label	Description	Also known as
English	petasitenine	chemical compound

Statements

type of chemical entity

0 references

(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

381.178752±0 dalton

1 reference

language of work or name

PETASITENINE (English)

5 October 2016

stereoisomer of

(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

based on heuristic

inferred from InChI

2 references

based on heuristic

inferred from InChIKey

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 InChIKey

(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

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(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

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

1 reference

based on heuristic

inferred from InChI

(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

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₇NO₇

1 reference

language of work or name

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

language of work or name

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

language of work or name

PETASITENINE (English)

20 November 2016

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=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

language of work or name

PETASITENINE (English)

20 November 2016

CZQLULNMKQAIQL-PFDMWMSASA-N

2 references

language of work or name

PETASITENINE (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

petasitenine (English)

20 November 2016

CZQLULNMKQAIQL-PFDMWMSASA-N

CAS Common Chemistry

10 April 2021

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

1 reference

language of work or name

(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

language of work or name

PETASITENINE (English)

20 November 2016

matched by identifier from

CZQLULNMKQAIQL-PFDMWMSASA-N

mapping relation type

2 references

language of work or name

Petasitenine (English)

5 October 2016

matched by identifier from

International Chemical Identifier

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

UniChem compound ID

1 reference

DSSTox substance ID

0 references

DSSTOX compound identifier

0 references

0 references

0 references

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CZQLULNMKQAIQL-PFDMWMSASA-N

1 reference

language of work or name

Petasitenine (English)

5 October 2016

2 references

Global Substance Registration System

language of work or name

petasitenine (English)

20 November 2016

matched by identifier from

CZQLULNMKQAIQL-PFDMWMSASA-N

1 reference

language of work or name

Petasitenine (English)

5 October 2016

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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