Cas no 948046-15-9 (20(R)-Notoginsenoside R2)

20(R)-Notoginsenoside R2 structure
20(R)-Notoginsenoside R2 structure
Product Name:20(R)-Notoginsenoside R2
CAS No:948046-15-9
MF:C41H70O13
MW:770.986714839935
CID:1124037
Update Time:2024-10-25

20(R)-Notoginsenoside R2 Chemical and Physical Properties

Names and Identifiers

    • 20(R)-Notoginsenoside R2
    • R-Notoginsenoside R2
    • NOTOGINSENOSIDE R2
    • 20(S)-Notoginsenoside-R2
    • 2-[2-[[3,12-Dihydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,1
    • (3β,6α,12β,20R)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside (ACI)
    • D
    • Inchi: 1S/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,38+,39+,40+,41+/m0/s1
    • InChI Key: FNIRVWPHRMMRQI-RFMRREALSA-N
    • SMILES: C[C@@]12C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]3C([C@H](CC[C@]3(C)[C@H]1C[C@@H](O)[C@@H]1[C@H](CC[C@@]21C)[C@@](O)(C)CC/C=C(\C)/C)O)(C)C

Computed Properties

  • Exact Mass: 770.48200
  • Monoisotopic Mass: 770.48164228 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 54
  • Rotatable Bond Count: 9
  • Complexity: 1360
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 20
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 771.0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 219

Experimental Properties

  • Color/Form: Powder
  • Density: 1.31±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (1.4E-3 g/L) (25 oC),
  • PSA: 218.99000
  • LogP: 1.75890

20(R)-Notoginsenoside R2 Pricemore >>

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20(R)-Notoginsenoside R2 Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Ethanol ,  Water ;  4 d, 26 °C
Reference
Microbial Transformation of 20(S)-Protopanaxatriol-Type Saponins by Absidia coerulea
Chen, Guangtong; Yang, Min; Lu, Zhiqiang; Zhang, Jinqiang; Huang, Huilian; et al, Journal of Natural Products, 2007, 70(7), 1203-1206

20(R)-Notoginsenoside R2 Raw materials

20(R)-Notoginsenoside R2 Preparation Products

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