(Q27282814)

English

uscharin

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

0 references

0 references

587.255±0 dalton

1 reference

language of work or name

Uscharin (English)

14 October 2016

stereoisomer of

(1S,3R,5S,7R,9R,10R,12R,14R,15S,18R,19R,22S,23R)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)spiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-14-carbaldehyde

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3R,5S,7R,9S,10R,12R,14R,15S,18R,19S,22S,23R)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)spiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-14-carbaldehyde

1 reference

based on heuristic

inferred from InChI

(1S,3R,5S,7R,9S,10R,12R,14R,15R,18R,19R,22S,23R)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)spiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-14-carbaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₁NO₈S

1 reference

language of work or name

Uscharin (English)

14 October 2016

canonical SMILES

CC1CC2(C3(C(O1)OC4CC5CCC6C(C5(CC4O3)C=O)CCC7(C6(CCC7C8=CC(=O)OC8)O)C)O)N=CCS2

1 reference

language of work or name

Uscharin (English)

14 October 2016

isomeric SMILES

C[C@@H]1C[C@]2([C@]3([C@@H](O1)O[C@@H]4C[C@@H]5CC[C@@H]6[C@@H]([C@]5(C[C@H]4O3)C=O)CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)N=CCS2

1 reference

language of work or name

Uscharin (English)

14 October 2016

Asclepias curassavica

5 references

Cardenolide biosynthesis from malonate in Asclepias curassavica

Cardenolide biosynthesis from acetate in Asclepias curassavica

Cytotoxic principles from the formosan milkweed, Asclepias curassavica

Cytotoxic principles from the formosan milkweed, Asclepias curassavica

New cardenolide and acylated lignan glycosides from the aerial parts of Asclepias curassavica

Calotropis procera

1 reference

Identification of a novel cardenolide (2''-oxovoruscharin) from Calotropis procera and the hemisynthesis of novel derivatives displaying potent in vitro antitumor activities and high in vivo tolerance: structure-activity relationship analyses.

Gomphocarpus fruticosus

1 reference

Cardenolide glycosides of the asclepiadaceae. New glycosides from asclepias fruticosa and the stereochemistry of uscharin, voruscharin and calotoxin

Identifiers

InChI=1S/C31H41NO8S/c1-17-13-30(32-9-10-41-30)31(36)26(38-17)39-23-12-19-3-4-22-21(28(19,16-33)14-24(23)40-31)5-7-27(2)20(6-8-29(22,27)35)18-11-25(34)37-15-18/h9,11,16-17,19-24,26,35-36H,3-8,10,12-15H2,1-2H3/t17-,19 ,20-,21 ,22-,23-,24-,26 ,27-,28-,29 ,30 ,31-/m1/s1

1 reference

language of work or name

Uscharin (English)

14 October 2016

DONIPVCAKBPJLH-IGACXKNBSA-N

1 reference

language of work or name

Uscharin (English)

14 October 2016

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

uscharin (English)

14 October 2016

DONIPVCAKBPJLH-IGACXKNBSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=24211-81-2

1 reference

language of work or name

(1R,3aS,3bR,5aS,6aR,7aS,9R,11S,11aR,12aR,13aR,13bS,15aR)-3a,11a-Dihydroxy-9,15a-dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-1,2,3,3a,3b,4,5,5a,6,6a,7a,9,10,11a,12a,13,13b,14,15,15a-icosahydro-5'H,13aH-sp (English)

14 October 2016

2 references

language of work or name

Uscharin (English)

14 October 2016

matched by identifier from

DONIPVCAKBPJLH-IGACXKNBSA-N

1 reference

language of work or name

USCHARIN (English)

14 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

0 references

DSSTOX compound identifier

DTXCID401375296

0 references

2 references

Global Substance Registration System

language of work or name

uscharin (English)

14 October 2016

matched by identifier from

DONIPVCAKBPJLH-IGACXKNBSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

31 December 2022

DONIPVCAKBPJLH-IGACXKNBSA-N

based on heuristic

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