Cas no 156857-59-9 (b-D-Glucopyranoside, (3b,5b,22a,25S)-22-methoxyfurostan-3,26-diyl bis- (9CI))

b-D-Glucopyranoside, (3b,5b,22a,25S)-22-methoxyfurostan-3,26-diyl bis- (9CI) structure
156857-59-9 structure
Product Name:b-D-Glucopyranoside, (3b,5b,22a,25S)-22-methoxyfurostan-3,26-diyl bis- (9CI)
CAS No:156857-59-9
MF:C40H68O14
MW:772.959534645081
CID:160697
PubChem ID:190854
Update Time:2025-04-19

b-D-Glucopyranoside, (3b,5b,22a,25S)-22-methoxyfurostan-3,26-diyl bis- (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranoside, (3b,5b,22a,25S)-22-methoxyfurostan-3,26-diyl bis- (9CI)
    • (-)-Filicinoside A
    • (3beta,5beta)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurostan-3-yl beta-D-glucopyranoside
    • 3-O-beta-D-Glucopyranosyl-26-O-beta-D-glucopyranosyl-22-alpha-methoxy-5beta-furostan-3beta,26-diol
    • beta-D-Glucopyranoside, (3beta,5beta,22alpha,25S)-22-methoxyfurostan-3,26-diyl bis-
    • Filicinoside A
    • 26-(Hexopyranosyloxy)-22-methoxyfurostan-3-yl hexopyranoside
    • 156857-59-9
    • DTXSID00935545
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[(1R,2S,4S,7S,8R,9S,12S,13S,16S,18R)-6-methoxy-7,9,13-trimethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]oxane-3,4,5-triol
    • Inchi: 1S/C40H68O14/c1-19(18-50-36-34(47)32(45)30(43)27(16-41)52-36)8-13-40(49-5)20(2)29-26(54-40)15-25-23-7-6-21-14-22(9-11-38(21,3)24(23)10-12-39(25,29)4)51-37-35(48)33(46)31(44)28(17-42)53-37/h19-37,41-48H,6-18H2,1-5H3/t19?,20-,21+,22-,23+,24-,25-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40?/m0/s1
    • InChI Key: JOLRNAYMVQBIMR-PLYJIFKSSA-N
    • SMILES: O1C(CCC(C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)([C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)OC

Computed Properties

  • Exact Mass: 772.461
  • Monoisotopic Mass: 772.461
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 54
  • Rotatable Bond Count: 11
  • Complexity: 1280
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 20
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 217?2

Experimental Properties

  • Density: 1.34
  • Boiling Point: 869.8°Cat760mmHg
  • Flash Point: 479.8°C
  • Refractive Index: 1.595
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