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7432-28-2

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Basic Information
CAS No.: 7432-28-2
Name: Schisandrin
Article Data: 15
Molecular Structure:
Molecular Structure of 7432-28-2 (Schisandrin)
Formula: C24H32O7
Molecular Weight: 432.514
Synonyms: Schizandrin(7CI);Schizandrol A;Wuweizialcohol A;Wuweizichun A;
Density: 1.135 g/cm3
Melting Point: 128-129oC
Boiling Point: 576.7 °C at 760 mmHg
Flash Point: 302.6 °C
Appearance: White powder
Hazard Symbols: Xn,N
Risk Codes: 22-50/53
Safety: 60-61
PSA: 75.61000
LogP: 3.89090
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Chemistry

Product Name: Schisandrin (CAS NO.7432-28-2)

Molecular Formula: C24H32O7
Molar mass: 750.9986 g/mol
Density: 1.135 g/cm3
Flash Point: 302.6 °C
Index of Refraction: 1.535
Boiling Point: 576.7 °C at 760 mmHg
Vapour Pressure: 3.87E-14 mmHg at 25°C
Molar Volume: 380.9 cm3  Polarizability: 47.02 10-24cm3 
Surface Tension: 36.5 dyne/cm 
Enthalpy of Vaporization: 90.83 kJ/mol
XLogP3-AA: 4
H-Bond Donor: 1
H-Bond Acceptor: 7
Canonical SMILES: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC
Isomeric SMILES: C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@]1(C)O)OC)OC)OC)OC)OC)OC
InChI: InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3/t13-,24-/m0/s1 
InChIKey: YEFOAORQXAOVJQ-RZFZLAGVSA-N
Product categories: Miscellaneous Natural Products; Natural Plant Extract

Toxicity Data With Reference

1.    

orl-mus LDLo:250 mg/kg

     CMJODS    Chinese Medical Journal (Beijing, English Edition). New Series. (Guozi Shudian, Beijing, Peoples Republic of China) V.1- 1975- 93 (1980),41.
2.    

ipr-mus LDLo:250 mg/kg

     CMJODS    Chinese Medical Journal (Beijing, English Edition). New Series. (Guozi Shudian, Beijing, Peoples Republic of China) V.1- 1975- 93 (1980),41.
3.    

scu-mus LD50:1861 mg/kg

     YKKZAJ    Yakugaku Zasshi. Journal of Pharmacy. 101 (1981),1030.

Safety Profile

Poison by ingestion and intraperitoneal routes. Moderately toxic by subcutaneous route. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Schisandrin (CAS NO.7432-28-2) also can be called Schisandrol A and Dibenzo(a,c)cycloocten-6-ol, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2 3,10,11,12-hexamethoxy-,stereoisomer .