(Q27106025)

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

CALOTROPIN (English)

5 October 2016

2 references

inferred from InChIKey

2 references

inferred from InChIKey

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

inferred from InChI

1 reference

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

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₂₉H₄₀O₉

1 reference

CALOTROPIN (English)

20 November 2016

CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O

1 reference

CALOTROPIN (English)

20 November 2016

C[C@@H]1C[C@@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)C=O)CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)O

1 reference

Nutrient and cardenolide composition of unextracted and solvent-extracted Calotropis procera

CALOTROPIN (English)

20 November 2016

1 reference

Asclepias curassavica

9 references

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

Biosynthetic preparation of cardenolides from [1-14C]acetic acid by stem discs of the milkweed Asclepias curassavica

Cardenolide biosynthesis from acetate in Asclepias curassavica

3'-epi-19-Norafroside and 12.BETA.-Hydroxycoroglaucigenin from Asclepias curassavica.

Cytotoxic principles from the formosan milkweed, Asclepias curassavica

3'-epi-19-Norafroside and 12.BETA.-Hydroxycoroglaucigenin from Asclepias curassavica.

Cytotoxicity of cardenolides and cardenolide glycosides from Asclepias curassavica

Cytotoxic principles from the formosan milkweed, Asclepias curassavica

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

Calotropis gigantea

2 references

19-Nor- and 18,20-epoxy-cardenolides from the leaves of Calotropis gigantea

Cytotoxic principles of a Bangladeshi crude drug, akond mul (roots of Calotropis gigantea L.).

Gomphocarpus sinaicus

4 references

Cardenolide glycosides with doubly linked sugars from Gomphocarpus sinaicus

Re-investigation of the cardenolide glycosides from Gomphocarpus sinaicus

Cardenolide glycosides with doubly linked sugars from Gomphocarpus sinaicus

A comparative study of the cardenolide content of different organs of Gomphocarpus sinaicus

Asclepias vestita

2 references

Cardenolide glycosides with 5,6-unsaturation from Asclepias vestita

Cardenolide glycosides with 5,6-unsaturation from Asclepias vestita

Danaus plexippus

1 reference

New glucoside conjugates and other cardenolide glycosides from the monarch butterfly reared on Asclepias fruticosa L.

Thymus vulgaris

1 reference

Influence of fibre coating in headspace solid-phase microextraction-gas chromatographic analysis of aromatic and medicinal plants

Asclepias subulata

1 reference

Cardenolides and a lignan from asclepias subulata

Identifiers

InChI

InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1

1 reference

CALOTROPIN (English)

20 November 2016

2 references

CALOTROPIN (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

1986-70-5

2 references

Global Substance Registration System

UNII

3XK21U1BZS

https://commonchemistry.cas.org/detail?cas_rn=1986-70-5

calotropin (English)

20 November 2016

7 April 2021

1 reference

[2a(2S,3S,4S,6R),3b,5a]-14-Hydroxy-19-oxo-3,2-[(tetrahydro-3,4-dihydroxy-6-methyl-2H-pyran-2,3-diyl)bis(oxy)]card-20(22)-enolide (English)

20 November 2016

2 references

CALOTROPIN (English)

20 November 2016

ChEBI ID

3329

mapping relation type

2 references

CALOTROPIN (English)

20 November 2016

International Chemical Identifier

InChI

InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1

1 reference

CALOTROPIN (English)

20 November 2016

2 references

inferred from InChIKey

Hazardous Substances Data Bank

1 reference

1 reference

28 October 2019

CALOTROPIN (English)

10 May 2021

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

Calotropin (English)

5 October 2016

2 references

UNII

3XK21U1BZS

calotropin (English)

20 November 2016

1 reference

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

Calotropin (English)

5 October 2016

1 reference

31 December 2022