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24211-81-2

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Basic Information
CAS No.: 24211-81-2
Name: Card-20(22)-enolide,14-hydroxy-2,3-[[(5S,6R,7S,9R)-6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro[4.5]dec-3-ene-6,7-diyl]bis(oxy)]-19-oxo-,(2a,3b,5a)-
Molecular Structure:
Molecular Structure of 24211-81-2 (Card-20(22)-enolide,14-hydroxy-2,3-[[(5S,6R,7S,9R)-6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro[4.5]dec-3-ene-6,7-diyl]bis(oxy)]-19-oxo-,(2a,3b,5a)-)
Formula: C31H41 N O8 S
Molecular Weight: 587.734
Synonyms: Card-20(22)-enolide,14-hydroxy-2,3-[(6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro[4.5]dec-3-ene-6,7-diyl)bis(oxy)]-19-oxo-,[2a(5S,6R,7S,9R),3b,5a]-; Uscharin (8CI); Uscharine (6CI)
Density: 1.62g/cm3
Boiling Point: 802.4°Cat760mmHg
Flash Point: 439°C
Safety: A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and SOx.
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    Chengdu Push Bio-technology Co., Ltd. provides more than 4,000 natural monomeric substances, including approximately 6,000 products at different grades, specifications and purities. We have specialized in the R&D of medicinally active ingredients sta

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Chemistry

Product Name: Uscharin 
CAS Registry Number: 24211-81-2 
Synonyms: 14-Hydroxy-2,3-((6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro(4.5)dec-3-ene-6,7-diyl)bis(oxy))-19-oxocard-20(22)-enolide (2alpha(5S,6R,7S,9R),3beta,5alpha)- ; Uscharine (6CI) 
Systematic Name: Card-20(22)-enolide, 14-hydroxy-2,3-((6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro(4.5)dec-3-ene-6,7-diyl)bis(oxy))-19-oxo-, (2alpha(5S,6R,7S,9R),3beta,5alpha)- ; Uscharin 
Molecular Weight: 587.72414 [g/mol]
Molecular Formula: C31H41NO8S
XLogP3-AA: 1.4
H-Bond Donor: 2
H-Bond Acceptor: 9
Surface Tension: 68.3 dyne/cm
Density: 1.62 g/cm3
Flash Point: 439 °C
Enthalpy of Vaporization: 132.87 kJ/mol
Boiling Point: 802.4 °C at 760 mmHg
Vapour Pressure: 8.8E-30 mmHg at 25°C 
Following is the molecular structure of Uscharin (CAS NO.24211-81-2) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 144ug/kg (0.144mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 74, Pg. 223, 1942.

Safety Profile

A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and SOx.

Specification

Descriptors computed from structure, you can know some information about Uscharin (CAS NO.24211-81-2) :
Canonical SMILES: CC1CC2(C3(C(O1)OC4CC5CCC6C(C5(CC4O3)C=O)CCC7(C6(CCC7C8=CC(=O)OC8)O)C)O)
N=CCS2
Isomeric SMILES: C[C@@H]1CC2([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(C6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)N=CCS2
InChI: 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
InChIKey: DONIPVCAKBPJLH-ZBINQGMKSA-N