-
Name
16β-(Acetyloxy)-3β-[(6-deoxy-3-O-methyl-α-L-altropyranosyl)oxy]-14-hydroxy-5β-card-20(22)-enolide
- EINECS
- CAS No. 4420-67-1
- Density 1.3g/cm3
- Solubility
- Melting Point
- Formula C32H48O10
- Boiling Point 729.4°Cat760mmHg
- Molecular Weight 592.80
- Flash Point 229.4°C
- Transport Information
- Appearance
- Safety A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Vallarosolanoside;Strospeside,16-acetate;16-Acetylstrospeside;
- PSA 140.98000
- LogP 2.65180
Vallarosolanoside Chemical Properties
Empirical Formula of Vallarosolanoside (CAS NO.4420-67-1): C32H48O10
Molecular Weight: 592.7175 g/mol
Index of Refraction: 1.577
Density: 1.3 g/cm3
Flash Point: 229.4 °C
Enthalpy of Vaporization: 121.58 kJ/mol
Boiling Point: 729.4 °C at 760 mmHg
Vapour Pressure: 1.47E-24 mmHg at 25 °C
Structure of Vallarosolanoside (CAS NO.4420-67-1):
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IUPAC Name: [3-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O
InChI: InChI=1S/C32H48O10/c1-16-26(35)28(38-5)27(36)29(40-16)42-20-8-10-30(3)19(13-20)6-7-22-21(30)9-11-31(4)25(18-12-24(34)39-15-18)23(41-17(2)33)14-32(22,31)37/h12,16,19-23,25-29,35-37H,6-11,13-15H2,1-5H3
InChIKey: UZQOZJNEDXAJEZ-UHFFFAOYSA-N
Vallarosolanoside Toxicity Data With Reference
| 1. | ivn-cat LDLo:329 µg/kg | JMCMAR Journal of Medicinal Chemistry. 13 (1970),1029. |
Vallarosolanoside Safety Profile
A poison by intravenous route. When heated to decomposition Vallarosolanoside (CAS NO.4420-67-1) emits acrid smoke and irritating vapors.
Vallarosolanoside Specification
Vallarosolanoside , its cas register number is 4420-67-1. It also can be called Strospeside, 16-acetate ; 16-Acetylstrospeside ; and Acoschimperoside P .
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