Epimedin B

CAS Registry Number®

110623-73-9

CAS Name

Epimedin B

Molecular Formula

C38H48O19

Molecular Mass

808.78

Cite this Page

Epimedin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110623-73-9 (retrieved 2024-11-25) (CAS RN: 110623-73-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    162-164 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C38H48O19/c1-14(2)5-10-18-21(53-37-31(49)28(46)26(44)22(12-39)54-37)11-19(40)23-27(45)34(32(55-33(18)23)16-6-8-17(50-4)9-7-16)56-38-35(29(47)24(42)15(3)52-38)57-36-30(48)25(43)20(41)13-51-36/h5-9,11,15,20,22,24-26,28-31,35-44,46-49H,10,12-13H2,1-4H3/t15-,20+,22+,24-,25-,26+,28-,29+,30+,31+,35+,36-,37+,38-/m0/s1

InChIKey

InChIKey=OCZZCFAOOWZSRX-LRHLXKJSSA-N

SMILES

C(C=C(C)C)C1=C2C(C(=O)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](O)[C@@H](O)[C@H](C)O3)=C(O2)C5=CC=C(OC)C=C5)=C(O)C=C1O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

Canonical SMILES

O=C1C(OC2OC(C)C(O)C(O)C2OC3OCC(O)C(O)C3O)=C(OC=4C1=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C4CC=C(C)C)C=6C=CC(OC)=CC6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(6-deoxy-2-O-β-D-xylopyranosyl-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-
  • 4H-1-Benzopyran-4-one, 3-[(6-deoxy-2-O-β-D-xylopyranosyl-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
  • 3-[(6-Deoxy-2-O-β-D-xylopyranosyl-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
  • Epimedin B

CAS INSIGHTSTM
Hourglass and a clock