Epimedin B

C38H48O19CAS 110623-73-9808.78 g/mol

Open in Covalent MOL file
OOOOOHOHOHHOOHOOOOHHOOOHOHOOH
AcetalAlcoholAlkeneEtherPhenol

Properties

Molecular formula
C38H48O19
Molar mass
808.78 g/mol
Exact mass
808.2790 Da
Melting point
162–164 °C
logP
-1.47Crippen estimate
Polar surface area
297.1 Ų
H-bond donors / acceptors
10 / 19
Rotatable bonds
11
Stereocentres
S, R, S, S, R, S, S, R, R, R, S, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
110623-73-9
SMILES
COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIKey
OCZZCFAOOWZSRX-LRHLXKJSSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 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

Work with Epimedin B

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Epmedin C110642-44-989 % similar Icariin489-32-785 % similar Hexandraside F140147-77-982 % similar Sagittatoside B118525-36-381 % similar Sagittatoside A118525-35-280 % similar Epimedin A110623-72-880 % similar 2'-O-Rhamnosylicariside ii135293-13-972 % similar Icariside I56725-99-669 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diphylloside B118544-18-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook