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| CAS No.: | 18296-44-1 |
|---|---|
| Name: | Valtrate |
| Molecular Structure: | |
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| Formula: | C22H30 O8 |
| Molecular Weight: | 422.475 |
| Synonyms: | Butanoicacid, 3-methyl-,(1S,2'R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1,6-diylester (9CI); Butanoic acid, 3-methyl-,4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1,6-diylester, [1S-(1a,6a,7b,7aa)]-; Spiro[cyclopenta[c]pyran-7(1H),2'-oxirane], butanoic acid deriv.;Baldrisedon; Halazuchrome B; Valepotriate; Valtrate; Valtratum |
| EINECS: | 242-174-2 |
| Density: | 1.22g/cm3 |
| Boiling Point: | 525.9°Cat760mmHg |
| Flash Point: | 226.5°C |
| Hazard Symbols: | A poison. |
| Safety: | A poison by intraperitoneal and intravenous routes. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 100.66000 |
| LogP: | 2.66210 |
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Chemistry
Empirical Formula: C22H30O8
Molecular Weight: 422.4688 g/mol
EINECS: 242-174-2
Index of Refraction: 1.528
Density: 1.22 g/cm3
Flash Point: 226.5 °C
Enthalpy of Vaporization: 80.02 kJ/mol
Boiling Point: 525.9 °C at 760 mmHg
Vapour Pressure: 3.75E-11 mmHg at 25 °C
Structure of Valtrate (CAS NO.18296-44-1):
IUPAC Name: [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
Product Categories of Valtrate (CAS NO.18296-44-1): Miscellaneous Natural Products
Toxicity Data With Reference
| 1. | uns-esc 50 nmol/L | MUREAV Mutation Research. 203 (1988),81. | ||
| 2. | ipr-mus LD50:60 mg/kg | PHUZBI Pharmazie in Unserer Zeit. 8 (1979),78. | ||
| 3. | ivn-gpg TDLo:20 mg/kg | TCPHP* Toxicology and Clinical Pharmacology of Herbal Products Melanie Johns Cupp ed.,Humana press,2000,57. |
Safety Profile
A poison by intraperitoneal and intravenous routes. Mutation data reported. When heated to decomposition Valtrate (CAS NO.18296-44-1) emits acrid smoke and irritating vapors.
Specification
Valtrate ,its cas register number is 18296-44-1. It also can be called Baldrisedon ; and Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-6,7a-dihydrospiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diyl ester, (1S-(1-alpha,6-alpha,7-beta,7a-alpha))- .