Timosaponin AIII | CAS No. 41059-79-4

Timosaponin AIII

Basic Information

CAS Number

41059-79-4

Molecular Formula

C39H64O13

Molecular Weight

740.9 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

317-322 °C

Boiling Point

862.8±65.0 °C(Predicted)

Density

1.36±0.1 g/cm3(Predicted)

Flash Point

475.6±34.3 °C

Solubility

DMF: 30 mg/ml; DMSO: 30 mg/ml

Refractive Index

1.606

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)OC1

InChI

InChI=1S/C39H64O13/c1-18-7-12-39(47-17-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3/t18?,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1

InChIKey

MMTWXUQMLQGAPC-HRSJJQGESA-N

LogP

1.442200000000003

pKa

12.85±0.70(Predicted)

Topological Polar Surface Area

196.98999999999998 Ų

Hydrogen Bond Donor/Acceptor

7 / 13

Complexity

1270

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • Timosaponin A-III
  • Q-100466
  • Filiferin B
  • Xilingsaponin A
  • 41059-79-4
  • (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • timosaponin AIII
  • AKOS025311534
  • Timosaponin A3
  • AneMarsaponin A3
  • TIMOSAPONIN A3 (SYN. TIMOSAPONIN A-III)
  • TIMOSAPONIN A-3
  • TIMOSAPONIN A-
  • AnemarsaponinA3
  • XilingsaponinA
  • β-D-Galactopyranoside, (3β,5β,25S)-spirostan-3-yl2-O-β-D-glucopyranosyl-
  • timosaponin A-III
  • b-D-Galactopyranoside, (3b,5b,25S)-spirostan-3-yl 2-O-b-D-glucopyranosyl-
  • TimosaponinA-Ⅲ
  • TIMOSAPONN
  • Timosaponin A-Ⅲ
  • Timosaponin A3
  • Timosaponina-
  • TimosaponinA III (7CI)
  • Anemarsaponin A 3
  • Sarsasapogenin, 2-O-b-D-glucopyranosyl-b-D-galactopyranoside
  • Timosaponine A III
  • Zhi-mu saponin
  • CID 129316846
  • [(25S)-5ss-Spirostan-3ss-yl]2-O-(ss-D-glucopyranosyl)-ss-D-galactopyranoside
  • Timosaponina-Iii

MDL Number

MFCD01631164

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