Cinobufagin

Cinobufagin
Names
	IUPAC name 3β-Hydroxy-14,15β-epoxy-5β-bufa-20,22-dienolid-16β-yl acetate
	Systematic IUPAC name (1R,2R,2aR,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-Hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1′,2′:6,7]indeno[1,7a-b]oxiran-2-yl acetate
	Other names Cinobufagin
Identifiers
CAS Number	470-37-1 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:80805;
ChEMBL	ChEMBL250785 ;
ChemSpider	10142947 ;
ECHA InfoCard	100.164.680
EC Number	636-927-8;
KEGG	C16931;
PubChem CID	11969542;
UNII	T9PSN4R8IR ;
CompTox Dashboard (EPA)	DTXSID701026953 ;
	InChI InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1 Key: SCULJPGYOQQXTK-OLRINKBESA-N ; InChI=1/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1 Key: SCULJPGYOQQXTK-OLRINKBEBZ;
	SMILES O=C\1O\C=C(/C=C/1)[C@@H]4[C@@]6(C)CC[C@H]3[C@@H](CC[C@@H]2C[C@@H](O)CC[C@@]23C)[C@]65O[C@@H]5[C@@H]4OC(=O)C;
Properties
Chemical formula	C26H34O6
Molar mass	442.552 g·mol−1
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	Toxic
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H300, H310, H330
Precautionary statements	P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Cinobufagin is a cardiotoxic bufanolide steroid secreted by the Asiatic toad Bufo gargarizans. It has similar effects to digitalis and is used in traditional Chinese medicine.^[1]

^ Yang, Z.; Luo, H.; Wang, H.; Hou H. (2008). "Preparative Isolation of Bufalin and Cinobufagin from Chinese Traditional Medicine ChanSu" (PDF). Journal of Chromatographic Science. 46 (1): 81–85. doi:10.1093/chromsci/46.1.81. PMID 18218193.

[1] Yang, Z.; Luo, H.; Wang, H.; Hou H. (2008). "Preparative Isolation of Bufalin and Cinobufagin from Chinese Traditional Medicine ChanSu" (PDF). Journal of Chromatographic Science. 46 (1): 81–85. doi:10.1093/chromsci/46.1.81. PMID 18218193.

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