Cas no 125338-05-8 (Stigmastane-3,4,6,8,15,16-hexol,29-[[2-O-(2-O-methyl-b-D-xylopyranosyl)-b-D-galactofuranosyl]oxy]-, (3b,4b,5a,6b,15a,16b,24R)- (9CI))

Stigmastane-3,4,6,8,15,16-hexol,29-[[2-O-(2-O-methyl-b-D-xylopyranosyl)-b-D-galactofuranosyl]oxy]-, (3b,4b,5a,6b,15a,16b,24R)- (9CI) structure
125338-05-8 structure
Product Name:Stigmastane-3,4,6,8,15,16-hexol,29-[[2-O-(2-O-methyl-b-D-xylopyranosyl)-b-D-galactofuranosyl]oxy]-, (3b,4b,5a,6b,15a,16b,24R)- (9CI)
CAS No:125338-05-8
MF:C41H72O16
MW:821.00079536438
CID:174350
Update Time:2024-03-01

Stigmastane-3,4,6,8,15,16-hexol,29-[[2-O-(2-O-methyl-b-D-xylopyranosyl)-b-D-galactofuranosyl]oxy]-, (3b,4b,5a,6b,15a,16b,24R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Stigmastane-3,4,6,8,15,16-hexol,29-[[2-O-(2-O-methyl-b-D-xylopyranosyl)-b-D-galactofuranosyl]oxy]-, (3b,4b,5a,6b,15a,16b,24R)- (9CI)
    • CrossasterosideP2
    • Stigmastane-3,4,6,8,15,16-hexol,29-[[2-O-(2-O-methyl-b-D-xylopyranosyl)-b-D-galactofuranosyl]oxy]-, (3b,4b,5a,6b,15a,16b,24R)
    • Stigmastane-3,4,6,8,15,16-hexol, 29-[[2-O-(2-O-methyl-β-D-xylopyranosyl)-β-D-galactofuranosyl]oxy]-, (3β,4β,5α,6β,15α,16β,24R)- (9CI)
    • Inchi： 1S/C41H72O16/c1-18(2)20(11-14-54-38-35(32(51)33(56-38)23(45)16-42)57-37-34(53-6)29(48)24(46)17-55-37)8-7-19(3)26-30(49)31(50)36-40(26,5)13-10-25-39(4)12-9-21(43)28(47)27(39)22(44)15-41(25,36)52/h18-38,42-52H,7-17H2,1-6H3/t19-,20-,21+,22-,23-,24-,25-,26+,27+,28+,29+,30-,31+,32+,33+,34-,35-,36-,37+,38-,39-,40-,41+/m1/s1
    • InChI Key： UHSTVDLSRBATIM-FFLFTSPLSA-N
    • SMILES： [C@@H]1(O)[C@H](O)[C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@](O)([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)CCO[C@@H]1O[C@@H]([C@@H](CO)O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC)[C@@H](O)[C@@H]3O)C[C@H]2O

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.37±0.1 g/cm3(Predicted)
  • Boiling Point: 944.2±65.0 °C(Predicted)
  • PSA: 52.54
  • pka: 13.05±0.70(Predicted)

Stigmastane-3,4,6,8,15,16-hexol,29-[[2-O-(2-O-methyl-b-D-xylopyranosyl)-b-D-galactofuranosyl]oxy]-, (3b,4b,5a,6b,15a,16b,24R)- (9CI) Related Literature

125338-05-8 (Stigmastane-3,4,6,8,15,16-hexol,29-[[2-O-(2-O-methyl-b-D-xylopyranosyl)-b-D-galactofuranosyl]oxy]-, (3b,4b,5a,6b,15a,16b,24R)- (9CI)) Related Products

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