Cas no 55304-02-4 (Soyasaponin III)

Soyasaponin III structure
Soyasaponin III structure
Product Name:Soyasaponin III
CAS No:55304-02-4
MF:C42H68O14
MW:796.980935096741
CID:369159
PubChem ID:21607811
Update Time:2025-04-19

Soyasaponin III Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b,4b,22b)-22,23-dihydroxyolean-12-en-3-yl 2-O-b-D-galactopyranosyl-
    • SOYASAPONIN III
    • SOYASAPONIN III(SH)
    • Q27132247
    • CHEBI:62867
    • C19865
    • (3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl-2-O-beta-D-galactopyranosyl-beta-D-Glucopyranosiduronic acid
    • AKOS040740918
    • 55304-02-4
    • OKIHRVKXRCAJFQ-AHBDIROXSA-N
    • (3beta,22beta)-22,24-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl-beta-D-glucopyranosiduronic acid
    • b-D-Glucopyranosiduronic acid,(3b,4b,22b)-22,23-dihydroxyolean-12-en-3-yl 2-O-b-D-galactopyranosyl-
    • (2S,3S,4S,5R,6R)-6-[[(3S,4S,4Ar,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
    • 22,23-Dihydroxyolean-12-en-3-yl 2-O-hexopyranosylhexopyranosiduronic acid
    • beta-D-Glucopyranosiduronic acid, (3beta,4beta,21alpha)-21,23-dihydroxyolean-12-en-3-yl 2-O-beta-D-galactopyranosyl
    • F82521
    • DTXSID20970630
    • (2S,3R,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
    • Soyasapogenol B base + O-HexA-Hex
    • SCHEMBL14708640
    • 3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
    • DA-58027
    • Soyasaponin III
    • Inchi： 1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1
    • InChI Key： OKIHRVKXRCAJFQ-AHBDIROXSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)[C@@H](CC(C)(C)C[C@H]5C4=CC[C@@H]32)O)[C@@]1(C)CO

Computed Properties

  • Exact Mass: 796.46100
  • Monoisotopic Mass: 796.461
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 7
  • Complexity: 1520
  • 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
  • Topological Polar Surface Area: 236A^2
  • XLogP3: 3.5

Experimental Properties

  • Color/Form: White powder
  • Density: 1.37
  • Melting Point: 215～216℃
  • Boiling Point: 910.8 °C at 760 mmHg
  • Flash Point: 267.8 °C
  • Refractive Index: 1.615
  • PSA: 236.06000
  • LogP: 1.85280

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Soyasaponin III Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:55304-02-4)Soyasaponin III
Order Number:A1032418
Stock Status:in Stock
Quantity:1mg
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 16:48
Price ($):527.0

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Amadis Chemical Company Limited
(CAS:55304-02-4)Soyasaponin III
A1032418
Purity:99%
Quantity:1mg
Price ($):527.0
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