Cas no 149475-29-6 (Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®2)-O-b-D-glucopyranosyl-(1®4)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI))

Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®2)-O-b-D-glucopyranosyl-(1®4)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI) structure
149475-29-6 structure
Product Name:Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®2)-O-b-D-glucopyranosyl-(1®4)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)
CAS No:149475-29-6
MF:C47H76O18
MW:929.09555721283
CID:162161
PubChem ID:44152893
Update Time:2025-04-19

Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®2)-O-b-D-glucopyranosyl-(1®4)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-5-hydroxy-3,4-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5
    • 2)-O-b-D-glucopyranosyl-(1&reg
    • 3-O-(beta-D-Glucopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-alpha-L-arabinopyranosyl)hederagenin
    • 4)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)
    • Olean-12-en-28-oic-acid, 3-((O-beta-D-glucopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-
    • Symphytoxide A
    • 149475-29-6
    • Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®2)-O-b-D-glucopyranosyl-(1®4)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)
    • Inchi： 1S/C47H76O18/c1-42(2)13-15-47(41(58)59)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)63-40-37(65-39-35(57)33(55)31(53)26(19-49)62-39)36(24(51)20-60-40)64-38-34(56)32(54)30(52)25(18-48)61-38/h7,23-40,48-57H,8-21H2,1-6H3,(H,58,59)/t23-,24+,25-,26-,27?,28-,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40+,43+,44?,45-,46-,47+/m1/s1
    • InChI Key： RBCDYSPAGZIIFK-XRKXVPSHSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@H](CO1)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)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(CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CCC(C)(C)C[C@@H]5C4=CC[C@@H]32)C1(C)CO

Computed Properties

  • Exact Mass: 928.50316557g/mol
  • Monoisotopic Mass: 928.50316557g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 65
  • Rotatable Bond Count: 10
  • Complexity: 1770
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 21
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 295?2

Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®2)-O-b-D-glucopyranosyl-(1®4)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI) Related Literature

Related Categories

149475-29-6 (Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®2)-O-b-D-glucopyranosyl-(1®4)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)- (9CI)) Related Products

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