Schisantherin A supplier | CasNO.58546-56-8

Name
Schisantherin A
EINECS
CAS No. 58546-56-8
Density 1.338 g/cm³
Solubility
Melting Point 110～112℃
Formula C₃₀H₃₂O₉
Boiling Point 675.636 °C at 760 mmHg
Molecular Weight 536.579
Flash Point 218.946 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-5,6-diol,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate,stereoisomer;Gomisin C;Schizantherin A;Wuweizi ester A;6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl benzoate;benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate;
PSA 101.91000
LogP 4.95800

Schisantherin A Specification

The Schisantherin A, with the CAS registry number 58546-56-8, has the systematic name of 6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl benzoate. It belongs to the product category of Heterocycles. And the molecular formula of the chemical is C₃₀H₃₂O₉.

The characteristics of Schisantherin A are as followings: (1)ACD/LogP: 6.38; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 9; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 90.91 Å²; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 141.4 cm³; (9)Molar Volume: 401.1 cm³; (10)Polarizability: 56.05×10^-24cm³; (11)Surface Tension: 59.8 dyne/cm; (12)Density: 1.33 g/cm³; (13)Flash Point: 218.9 °C; (14)Enthalpy of Vaporization: 104.21 kJ/mol; (15)Boiling Point: 675.6 °C at 760 mmHg; (16)Vapour Pressure: 3.54E-19 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC4c1c(c(OC)c(OC)c(OC)c1)c3c(OC)c2OCOc2cc3CC(C)C4(O)C)c5ccccc5
(2)InChI: InChI=1/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3
(3)InChIKey: UFCGDBKFOKKVAC-UHFFFAOYAA

Product Name

Schisantherin A

Schisantherin A Specification

Related Products

Hot Products