Scilliroside

Scilliroside
Names
	IUPAC name 6β-(Acetyloxy)-3β-(β-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide
	Systematic IUPAC name (1R,3aR,3bS,5R,7S,9aR,9bR,11aR)-3a,3b-Dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-5-yl acetate
	Other names (3β,6β)-6-(Acetyloxy)-3-(β-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide
Identifiers
CAS Number	507-60-8 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:28332;
ChemSpider	390447 ;
ECHA InfoCard	100.007.344
KEGG	C08880 ;
PubChem CID	441871;
UNII	2815004NHO ;
CompTox Dashboard (EPA)	DTXSID5042374 ;
	InChI InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1 Key: LSMIOFMZNVEEBR-ICLSSMQGSA-N ; InChI=1/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1 Key: LSMIOFMZNVEEBR-ICLSSMQGBS;
	SMILES CC(=O)O[C@@H]1C[C@@]2([C@H](CC[C@]3([C@@]2(CC[C@@H]3c4ccc(=O)oc4)O)C)[C@@]5(C1=C[C@H](CC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O;
Properties
Chemical formula	C32H44O12
Molar mass	620.685
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	Toxic
	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

Scilliroside is a toxic compound derived from the plant Drimia maritima (syn. Urginea maritima), which is sometimes used as a rodenticide.^[1]

References

^ el Bahri L, Djegham M, Makhlouf M (April 2000). "Urginea maritima L (Squill): a poisonous plant of North Africa". Veterinary and Human Toxicology. 42 (2): 108–10. PMID 10750179.

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[1] Bahri L, Djegham M, Makhlouf M (April 2000). "Urginea maritima L (Squill): a poisonous plant of North Africa". Veterinary and Human Toxicology. 42 (2): 108–10. PMID 10750179.

[1]

Names

IUPAC name 6β-(Acetyloxy)-3β-(β-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide
Systematic IUPAC name (1R,3aR,3bS,5R,7S,9aR,9bR,11aR)-3a,3b-Dihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-5-yl acetate
Other names (3β,6β)-6-(Acetyloxy)-3-(β-D-glucopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide
Identifiers
CAS Number	507-60-8^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:28332
ChemSpider	390447^N
ECHA InfoCard	100.007.344
KEGG	C08880^Y
PubChem CID	441871
UNII	2815004NHO^Y
CompTox Dashboard (EPA)	DTXSID5042374
InChI InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1^N Key: LSMIOFMZNVEEBR-ICLSSMQGSA-N^N InChI=1/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1 Key: LSMIOFMZNVEEBR-ICLSSMQGBS
SMILES CC(=O)O[C@@H]1C[C@@]2([C@H](CC[C@]3([C@@]2(CC[C@@H]3c4ccc(=O)oc4)O)C)[C@@]5(C1=C[C@H](CC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O
Properties
Chemical formula	C₃₂H₄₄O₁₂
Molar mass	620.685
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Toxic
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references

Scilliroside

References

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