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(-)-Asarinin CAS NO.133-04-0
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Keywords
- l-Asarinin
- Xanthoxylin S
- Asarinin, (-)-; L-Asarinin
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- ProName: (-)-Asarinin
- CasNo: 133-04-0
- Application: Molecular structure of (-)-Asarinin (C...
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Molecular structure of (-)-Asarinin (CAS NO.133-04-0) is:
Product Name: (-)-Asarinin
CAS Registry Number: 133-04-0
IUPAC Name: 5-[3-(1,3-Benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Molecular Weight: 354.35332 [g/mol]
Molecular Formula: C20H18O6
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 6
Index of Refraction: 1.622
Molar Refractivity: 90.14 cm3
Molar Volume: 255.7 cm3
Surface Tension: 61.3 dyne/cm
Density: 1.385 g/cm3
Flash Point: 212.3 °C
Enthalpy of Vaporization: 74.45 kJ/mol
Boiling Point: 504.4 °C at 760 mmHg
Vapour Pressure: 8.38E-10 mmHg at 25 °C
Product Categories: Lichen Products
Canonical SMILES: C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2
InChIKey: PEYUIKBAABKQKQ-UHFFFAOYSA-N
Details
Molecular structure of (-)-Asarinin (CAS NO.133-04-0) is:
Product Name: (-)-Asarinin
CAS Registry Number: 133-04-0
IUPAC Name: 5-[3-(1,3-Benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Molecular Weight: 354.35332 [g/mol]
Molecular Formula: C20H18O6
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 6
Index of Refraction: 1.622
Molar Refractivity: 90.14 cm3
Molar Volume: 255.7 cm3
Surface Tension: 61.3 dyne/cm
Density: 1.385 g/cm3
Flash Point: 212.3 °C
Enthalpy of Vaporization: 74.45 kJ/mol
Boiling Point: 504.4 °C at 760 mmHg
Vapour Pressure: 8.38E-10 mmHg at 25 °C
Product Categories: Lichen Products
Canonical SMILES: C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2
InChIKey: PEYUIKBAABKQKQ-UHFFFAOYSA-N