Cas no 152685-90-0 (b-D-Xylopyranoside, (3b,12b,15a,16a,23R,24S)-16,23:16,24-diepoxy-12,15,25-trihydroxy-9,19-cyclolanostan-3-yl)

b-D-Xylopyranoside, (3b,12b,15a,16a,23R,24S)-16,23:16,24-diepoxy-12,15,25-trihydroxy-9,19-cyclolanostan-3-yl structure
152685-90-0 structure
Product Name:b-D-Xylopyranoside, (3b,12b,15a,16a,23R,24S)-16,23:16,24-diepoxy-12,15,25-trihydroxy-9,19-cyclolanostan-3-yl
CAS No:152685-90-0
MF:C35H56O10
MW:636.813152313232
CID:144279
PubChem ID:10054869
Update Time:2025-04-19

b-D-Xylopyranoside, (3b,12b,15a,16a,23R,24S)-16,23:16,24-diepoxy-12,15,25-trihydroxy-9,19-cyclolanostan-3-yl Chemical and Physical Properties

Names and Identifiers

    • b-D-Xylopyranoside, (3b,12b,15a,16a,23R,24S)-16,23:16,24-diepoxy-12,15,25-trihydroxy-9,19-cyclolanostan-3-yl
    • b-D-Xylopyranoside, (3b,12b,15a,16a,23R,24S)-16,23:16,24-diepoxy-12,15,25-trihydroxy-9,19-cycl...
    • (7R,7aR,7bR,8R,13R,13aS)-7,13-dihydroxy-11-(2-hydroxypropan-2-yl)-1,1,7a,8,13a-pentamethyloctadecahydro-10,12a-epoxycyclopropa[1',8a']naphtho[2',1':4,5]indeno[
    • 12beta-Hydroxycimigenol 3-(beta-D-xylopyranoside)
    • 12beta-Hydroxycimigenol-3-O-beta-D-xylopyranoside
    • 12-Hydroxycimigenol-3-O-xylopyranoside
    • beta-D-Xylopyranoside, (3beta,12beta,15alpha,16alpha,23R,24S)-16,23:16,24-diepoxy-12,15,25-trihydroxy-9,19-cyclolanostan-3-yl
    • Cimiside A
    • (2S,3R,4S,5R)-2-[[(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
    • CHEMBL3337552
    • 152685-90-0
    • Inchi： 1S/C35H56O10/c1-16-12-18-26(30(4,5)41)45-35(44-18)25(16)32(7)21(37)13-34-15-33(34)11-10-22(43-27-24(39)23(38)17(36)14-42-27)29(2,3)19(33)8-9-20(34)31(32,6)28(35)40/h16-28,36-41H,8-15H2,1-7H3/t16-,17-,18-,19+,20+,21-,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1
    • InChI Key： JKPGINPCCVKTKQ-NCOMMUCESA-N
    • SMILES： O1[C@H]2[C@@H](C(C)(C)O)O[C@]31[C@@H]([C@]1(C)[C@@](C)([C@H]3[C@H](C)C2)[C@@H](C[C@@]23C[C@]42CC[C@@H](C(C)(C)[C@@H]4CC[C@H]31)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O

Computed Properties

  • Exact Mass: 636.38734798g/mol
  • Monoisotopic Mass: 636.38734798g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 3
  • Complexity: 1240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 18
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 158?2

b-D-Xylopyranoside, (3b,12b,15a,16a,23R,24S)-16,23:16,24-diepoxy-12,15,25-trihydroxy-9,19-cyclolanostan-3-yl Related Literature

Related Categories

152685-90-0 (b-D-Xylopyranoside, (3b,12b,15a,16a,23R,24S)-16,23:16,24-diepoxy-12,15,25-trihydroxy-9,19-cyclolanostan-3-yl) Related Products

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