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CAS No.: | 110623-73-9 |
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Name: | Epmedin B |
Molecular Structure: | |
Formula: | C38H48O19 |
Molecular Weight: | 808.788 |
Synonyms: | 4H-1-Benzopyran-4-one,3-[(6-deoxy-2-O-b-D-xylopyranosyl-a-L-mannopyranosyl)oxy]-7-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-(9CI); |
Density: | 1.6 g/cm3 |
Melting Point: | 162-164 °C |
Boiling Point: | 1066.1 °C at 760 mmHg |
Flash Point: | 325.6 °C |
PSA: | 297.12000 |
LogP: | -1.46880 |
Structure of Epmedin B (CAS NO.110623-73-9):
IUPAC Name: 3-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Empirical Formula: C38H48O19
Molecular Weight: 808.7763g/mol
Index of Refraction: 1.685
Molar Refractivity: 191.88 cm3
Molar Volume: 504.6 cm3
Polarizability: 76.06×10-24 cm3
Surface Tension: 92.6 dyne/cm
Density: 1.6 g/cm3
Flash Point: 325.6 °C
Enthalpy of Vaporization: 163.64 kJ/mol
Boiling Point: 1066.1 °C at 760 mmHg
XLogP3-AA: 0.1
H-Bond Donor: 10
H-Bond Acceptor: 19
Rotatable Bond Count: 11
Tautomer Count: 5
Exact Mass: 808.278979
MonoIsotopic Mass: 808.278979
Topological Polar Surface Area: 293
Heavy Atom Count: 57
Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)OC6C(C(C(CO6)O)O)O)O)O
InChIKey: OCZZCFAOOWZSRX-LRHLXKJSSA-N
Product Categories of Epmedin B (CAS NO.110623-73-9): Miscellaneous Natural Products; The group of Epimedii
Epmedin B (CAS NO.110623-73-9) is also named as 4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-beta-D-xylopyranosyl-
alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)- .