Cas no 79974-46-2 (â-D-Galactopyranoside,(3â,5R,25S)-spirostan- 3-yl O-6-deoxy-R-L-mannopyranosyl- (1f2)-O-[O-â-D-xylopyranosyl-(1f2)-O- [â-D-xylopyranosyl-(1f3)]-â-Dglucopyranosyl-( 1f4)]-)

â-D-Galactopyranoside,(3â,5R,25S)-spirostan- 3-yl O-6-deoxy-R-L-mannopyranosyl- (1f2)-O-[O-â-D-xylopyranosyl-(1f2)-O- [â-D-xylopyranosyl-(1f3)]-â-Dglucopyranosyl-( 1f4)]- structure
79974-46-2 structure
Product Name:â-D-Galactopyranoside,(3â,5R,25S)-spirostan- 3-yl O-6-deoxy-R-L-mannopyranosyl- (1f2)-O-[O-â-D-xylopyranosyl-(1f2)-O- [â-D-xylopyranosyl-(1f3)]-â-Dglucopyranosyl-( 1f4)]-
CAS No:79974-46-2
MF:C55H90O25
MW:1151.28812074661
MDL:MFCD16294845
CID:837163
PubChem ID:329757728
Update Time:2024-10-27

â-D-Galactopyranoside,(3â,5R,25S)-spirostan- 3-yl O-6-deoxy-R-L-mannopyranosyl- (1f2)-O-[O-â-D-xylopyranosyl-(1f2)-O- [â-D-xylopyranosyl-(1f3)]-â-Dglucopyranosyl-( 1f4)]- Chemical and Physical Properties

Names and Identifiers

    • &acirc
    • tribulosin
    • ,5R,25S)-spirostan- 3-yl O-6-deoxy-R-L-mannopyranosyl- (1...
    • -Dglucopyranosyl-( 1f4)]-
    • -D-xylopyranosy
    • -D-xylopyranosyl-(1f3)]-&acirc
    • (3β,5α,25S)-Spirostan-3-yl 6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)]-β-D-galactopyranoside
    • (3β,5α,25S)-Spirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)]-β-D-galactopyranoside (ACI)
    • Tribulosin, analytical standard
    • 79974-46-2
    • (3beta,5alpha,25S)-Spirostan-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)]-beta-D-galactopyranoside
    • DTXSID30746863
    • CHEMBL4104618
    • â-D-Galactopyranoside,(3â,5R,25S)-spirostan- 3-yl O-6-deoxy-R-L-mannopyranosyl- (1f2)-O-[O-â-D-xylopyranosyl-(1f2)-O- [â-D-xylopyranosyl-(1f3)]-â-Dglucopyranosyl-( 1f4)]-
    • MDL: MFCD16294845
    • Inchi: 1S/C55H90O25/c1-21-8-13-55(71-18-21)22(2)34-31(80-55)15-28-26-7-6-24-14-25(9-11-53(24,4)27(26)10-12-54(28,34)5)73-51-46(78-50-42(67)39(64)35(60)23(3)72-50)43(68)44(33(17-57)75-51)76-52-47(79-49-41(66)37(62)30(59)20-70-49)45(38(63)32(16-56)74-52)77-48-40(65)36(61)29(58)19-69-48/h21-52,56-68H,6-20H2,1-5H3/t21-,22-,23-,24-,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52-,53-,54-,55+/m0/s1
    • InChI Key: YYCFEJVBMMGRLX-BTLNAVNBSA-N
    • SMILES: C[C@]12CC[C@@H]3[C@]4(CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C[C@@H]4CC[C@H]3[C@@H]1C[C@@H]1O[C@@]3(OC[C@@H](C)CC3)[C@H]([C@H]21)C)C

Computed Properties

  • Exact Mass: 1150.58000
  • Monoisotopic Mass: 1150.57711835g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 25
  • Heavy Atom Count: 80
  • Rotatable Bond Count: 12
  • Complexity: 2090
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 33
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.4
  • Topological Polar Surface Area: 374?2

Experimental Properties

  • Density: 1.50
  • Melting Point: 272-277?°C
  • PSA: 373.75000
  • LogP: -2.77940

â-D-Galactopyranoside,(3â,5R,25S)-spirostan- 3-yl O-6-deoxy-R-L-mannopyranosyl- (1f2)-O-[O-â-D-xylopyranosyl-(1f2)-O- [â-D-xylopyranosyl-(1f3)]-â-Dglucopyranosyl-( 1f4)]- Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

â-D-Galactopyranoside,(3â,5R,25S)-spirostan- 3-yl O-6-deoxy-R-L-mannopyranosyl- (1f2)-O-[O-â-D-xylopyranosyl-(1f2)-O- [â-D-xylopyranosyl-(1f3)]-â-Dglucopyranosyl-( 1f4)]- Pricemore >>

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â-D-Galactopyranoside,(3â,5R,25S)-spirostan- 3-yl O-6-deoxy-R-L-mannopyranosyl- (1f2)-O-[O-â-D-xylopyranosyl-(1f2)-O- [â-D-xylopyranosyl-(1f3)]-â-Dglucopyranosyl-( 1f4)]- Related Literature

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