Cas no 868526-72-1 (β-D-Glucopyranosyl (3β,4α)-3,23-dihydroxylup-20(29)-en-28-oate)

β-D-Glucopyranosyl (3β,4α)-3,23-dihydroxylup-20(29)-en-28-oate structure
868526-72-1 structure
Product Name:β-D-Glucopyranosyl (3β,4α)-3,23-dihydroxylup-20(29)-en-28-oate
CAS No:868526-72-1
MF:C36H58O9
MW:634.840332508087
CID:6636449
Update Time:2024-01-15

β-D-Glucopyranosyl (3β,4α)-3,23-dihydroxylup-20(29)-en-28-oate Chemical and Physical Properties

Names and Identifiers

    • β-D-Glucopyranosyl (3β,4α)-3,23-dihydroxylup-20(29)-en-28-oate
    • Inchi： 1S/C36H58O9/c1-19(2)20-9-14-36(31(43)45-30-29(42)28(41)27(40)22(17-37)44-30)16-15-34(5)21(26(20)36)7-8-24-32(3)12-11-25(39)33(4,18-38)23(32)10-13-35(24,34)6/h20-30,37-42H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32-,33-,34+,35+,36-/m0/s1
    • InChI Key： MWEWSPNXJWFDDQ-SSCFIQMNSA-N
    • SMILES： [C@@H]1(O)[C@@]([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@@]1([C@@](CC[C@H]1C(C)=C)(C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=O)CC3)[H])C)(C)CC2)[H])(C)CO

Experimental Properties

  • Density: 1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 726.9±60.0 °C(Predicted)
  • pka: 12.53±0.70(Predicted)

β-D-Glucopyranosyl (3β,4α)-3,23-dihydroxylup-20(29)-en-28-oate Production Method

Production Method 1

Reaction Conditions
Reference
Microbial hydroxylation and glycosylation of pentacyclic triterpenes as inhibitors on tissue factor procoagulant activity
Wang, Wei-Wei; Xu, Shao-Hua; Zhao, Ya-Zheng; Zhang, Chao; Zhang, Yuan-Yuan; et al, Bioorganic & Medicinal Chemistry Letters, 2017, 27(4), 1026-1030

β-D-Glucopyranosyl (3β,4α)-3,23-dihydroxylup-20(29)-en-28-oate Raw materials

β-D-Glucopyranosyl (3β,4α)-3,23-dihydroxylup-20(29)-en-28-oate Preparation Products

β-D-Glucopyranosyl (3β,4α)-3,23-dihydroxylup-20(29)-en-28-oate Related Literature

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