Cas no 141890-69-9 (Olean-12-ene-28,29-dioicacid, 3-[(O-b-D-glucopyranosyl-(1®4)-O-b-D-xylopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]-2,23-dihydroxy-, 28-b-D-glucopyranosyl 29-methyl ester, (2b,3b,4a,20b)- (9CI))

Olean-12-ene-28,29-dioicacid, 3-[(O-b-D-glucopyranosyl-(1®4)-O-b-D-xylopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]-2,23-dihydroxy-, 28-b-D-glucopyranosyl 29-methyl ester, (2b,3b,4a,20b)- (9CI) structure
141890-69-9 structure
Product Name:Olean-12-ene-28,29-dioicacid, 3-[(O-b-D-glucopyranosyl-(1®4)-O-b-D-xylopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]-2,23-dihydroxy-, 28-b-D-glucopyranosyl 29-methyl ester, (2b,3b,4a,20b)- (9CI)
CAS No:141890-69-9
MF:C54H86O26
MW:1151.24506044388
CID:149788
PubChem ID:197456
Update Time:2025-04-19

Olean-12-ene-28,29-dioicacid, 3-[(O-b-D-glucopyranosyl-(1®4)-O-b-D-xylopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]-2,23-dihydroxy-, 28-b-D-glucopyranosyl 29-methyl ester, (2b,3b,4a,20b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-10-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)
    • 1-O-[(2beta,3beta,5xi,18alpha)-3-{[beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl]o
    • 3-O-(Glucopyranosyl(1-4)-xylopyranosyl(1-4)-glucopyranosyl)-28-O-glucopyranosylphytolaccagenin
    • 4)-b-D-glucopyranosyl)oxy]-2,23-dihydroxy-, 28-b-D-glucopyranosyl 29-methyl ester, (2b,3b,4a,20b)- (9CI)
    • 4)-O-b-D-xylopyranosyl-(1&reg
    • Esculentoside N
    • Olean-12-ene-28,29-dioic-acid, 3-((O-beta-D-glucopyranosyl-(1-4)-O-beta-D-xylopyranosyl-(1-4)-beta-D-glucopyranosyl)oxy)-2,23-dihydroxy-, 28-beta-D-glucopyranosyl 29-methyl ester, (2beta,3beta,4alpha,20beta)-
    • 141890-69-9
    • Olean-12-ene-28,29-dioicacid, 3-[(O-b-D-glucopyranosyl-(1®4)-O-b-D-xylopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]-2,23-dihydroxy-, 28-b-D-glucopyranosyl 29-methyl ester, (2b,3b,4a,20b)- (9CI)
    • Inchi： 1S/C54H86O26/c1-49(47(70)72-6)11-13-54(48(71)80-45-39(69)36(66)33(63)27(18-56)75-45)14-12-52(4)22(23(54)15-49)7-8-30-50(2)16-24(59)42(51(3,21-58)29(50)9-10-53(30,52)5)79-46-41(78-43-37(67)31(61)25(60)20-73-43)40(34(64)28(19-57)76-46)77-44-38(68)35(65)32(62)26(17-55)74-44/h7,23-46,55-69H,8-21H2,1-6H3/t23-,24+,25-,26-,27-,28-,29?,30-,31+,32-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42+,43+,44+,45+,46+,49-,50+,51+,52-,53-,54+/m1/s1
    • InChI Key： WVJDSQFWFCCTAH-BKWLPVKJSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)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](CO1)O)O)O)[C@H]1[C@H](C[C@@]2(C)C(CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](CO)O6)O)O)O)CC[C@](C(=O)OC)(C)C[C@@H]5C4=CC[C@@H]32)[C@]1(C)CO)O

Computed Properties

  • Exact Mass: 1150.541
  • Monoisotopic Mass: 1150.541
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 15
  • Hydrogen Bond Acceptor Count: 26
  • Heavy Atom Count: 80
  • Rotatable Bond Count: 15
  • Complexity: 2240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 29
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.6
  • Topological Polar Surface Area: 421?2

Experimental Properties

  • Density: 1.53
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.647

Olean-12-ene-28,29-dioicacid, 3-[(O-b-D-glucopyranosyl-(1®4)-O-b-D-xylopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]-2,23-dihydroxy-, 28-b-D-glucopyranosyl 29-methyl ester, (2b,3b,4a,20b)- (9CI) Related Literature

Related Categories

141890-69-9 (Olean-12-ene-28,29-dioicacid, 3-[(O-b-D-glucopyranosyl-(1®4)-O-b-D-xylopyranosyl-(1®4)-b-D-glucopyranosyl)oxy]-2,23-dihydroxy-, 28-b-D-glucopyranosyl 29-methyl ester, (2b,3b,4a,20b)- (9CI)) Related Products

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