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CAS No.: | 25406-64-8 |
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Name: | Morroniside |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C17H26 O11 |
Molecular Weight: | 406.387 |
Synonyms: | 1H,3H-Pyrano[3,4-c]pyran-5-carboxylicacid, 8-(b-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-3-hydroxy-1-methyl-,methyl ester, [1S-(1a,3b,4ab,8b,8ab)]-; Morroniside (8CI);Morronisid; b-Morroniside |
Density: | 1.52 |
Melting Point: | 133 - 140°C |
Boiling Point: | 635.6oC at 760 mmHg |
Flash Point: | 226.9oC |
PSA: | 164.37000 |
LogP: | -2.42430 |
Molecular Structure of Morroniside (CAS No.25406-64-8):
Molecular Formula: C17H26O11
Molecular Weight: 406.3817
CAS No: 25406-64-8
IUPAC Name: Methyl (1S,3R,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate
H bond acceptors: 11
H bond donors: 5
Freely Rotating Bonds: 10
Polar Surface Area: 109.37 Å2
Index of Refraction: 1.596
Molar Refractivity: 90.59 cm3
Molar Volume: 265.9 cm3
Surface Tension: 73.2 dyne/cm
Density: 1.52 g/cm3
Flash Point: 226.9 °C
Enthalpy of Vaporization: 107.62 kJ/mol
Boiling Point: 635.6 °C at 760 mmHg
Vapour Pressure: 7.9E-19 mmHg at 25°C
InChI: InChI=1/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1
InChIKey: YTZSBJLNMIQROD-SFBCHFHNBS
Std. InChI: InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1
Std. InChIKey: YTZSBJLNMIQROD-SFBCHFHNSA-N
Morroniside (CAS No.25406-64-8), its synonyms are 1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 8-(beta-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-3-hydroxy-1-methyl-, methyl ester, (1S,3R,4aS,8S,8aS)- ; B-Morroniside ; Methyl (1S,3R,4aS,8S,8aS)-8-(beta-D-glucopyranosyloxy)-3-hydroxy-1-methyl-4,4a,8,8a-tetrahydro-1H,3H-pyrano[3,4-c]pyran-5-carboxylate .