Cas no 3671-38-3 (b-D-Glucopyranoside, (3b,22b,25S)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]-)

b-D-Glucopyranoside, (3b,22b,25S)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- structure
3671-38-3 structure
Product Name:b-D-Glucopyranoside, (3b,22b,25S)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]-
CAS No:3671-38-3
MF:C45H73NO15
MW:868.058835744858
CID:305954
PubChem ID:168971
Update Time:2025-04-19

b-D-Glucopyranoside, (3b,22b,25S)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- Chemical and Physical Properties

Names and Identifiers

    • (3beta,25S)-spirosol-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside
    • Beta-Solamarine
    • b-D-Glucopyranoside, (3b,22b,25S)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • AKOS040762352
    • NS00094320
    • DTXSID601104299
    • (3beta,22beta,25S)-Spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-->4)]-beta-D-glucopyranoside
    • beta-D-Glucopyranoside, (3beta,22beta,25S)-spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-
    • (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-Hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
    • CHEBI:189918
    • SOLAMARIN, BETA
    • CS-0103721
    • NSC 94735
    • 3671-38-3
    • HY-129124
    • b-Solamarine
    • Solamargine
    • ?-Solanigrine
    • DA-71439
    • (3I(2),22I(2),25S)-Spirosol-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-I(2)-D-glucopyranoside
    • b-D-Glucopyranoside, (3b,22b,25S)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]-
    • Inchi： 1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1
    • InChI Key： MBWUSSKCCUMJHO-SXCAMOPPSA-N
    • SMILES： O1[C@@]2(CC[C@H](C)CN2)[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC=C4C[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[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O

Computed Properties

  • Exact Mass: 867.498
  • Monoisotopic Mass: 867.498
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 61
  • Rotatable Bond Count: 7
  • Complexity: 1610
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 26
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 239A^2
  • XLogP3: 1.1

Experimental Properties

  • Color/Form: Powder
  • Density: 1.38
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.618
  • PSA: 238.48000
  • LogP: 1.14350

b-D-Glucopyranoside, (3b,22b,25S)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- Pricemore >>

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b-D-Glucopyranoside, (3b,22b,25S)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]- Related Literature

Related Categories

3671-38-3 (b-D-Glucopyranoside, (3b,22b,25S)-spirosol-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[6-deoxy-a-L-mannopyranosyl-(1®4)]-) Related Products

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