Cas no 87797-84-0 (6beta-Hydroxyipolamiide)

6beta-Hydroxyipolamiide structure
6beta-Hydroxyipolamiide structure
Product Name:6beta-Hydroxyipolamiide
CAS No:87797-84-0
MF:C17H26O12
MW:422.381146907806
MDL:MFCD17214925
CID:836769
PubChem ID:14137128
Update Time:2024-10-26

6beta-Hydroxyipolamiide Chemical and Physical Properties

Names and Identifiers

    • 6beta-Hydroxyipolamiide
    • 6β-Hydroxyipolamiide
    • Methyl (1S,4aR,5R,7S,7aR)-1-(β-D-glucopyranosyloxy)-4a,5,7-trihyd roxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxy late
    • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5,7-trihydroxy-7-methyl-, methyl ester, [1S-(1α,4aα,5α,7α,7aα)]- (ZCI)
    • 87797-84-0
    • MEGxp0_001330
    • NCGC00180538-01
    • CS-0023168
    • BRD-K69634923-001-01-1
    • AKOS032962241
    • ACon1_001407
    • 6-Hydroxyipolamiide
    • Cyclopenta[c]pyran-4-carboxylic acid, 1-(-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5,7-trihydroxy-7-methyl-, methyl ester, [1S-(1,4a,5,7,7a)]-
    • methyl (1S,4aR,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
    • A-Hydroxyipolamiide
    • 6
    • HY-N2703
    • FS-9125
    • [ "" ]
    • MDL: MFCD17214925
    • Inchi: 1S/C17H26O12/c1-16(24)3-8(19)17(25)6(13(23)26-2)5-27-15(12(16)17)29-14-11(22)10(21)9(20)7(4-18)28-14/h5,7-12,14-15,18-22,24-25H,3-4H2,1-2H3/t7-,8-,9-,10+,11-,12-,14+,15+,16+,17-/m1/s1
    • InChI Key: RRKJSAASNMDKLI-NZHINYMZSA-N
    • SMILES: O[C@]12[C@H](O)C[C@@](O)(C)[C@H]1[C@@H](OC=C2C(=O)OC)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

Computed Properties

  • Exact Mass: 422.14200
  • Monoisotopic Mass: 422.14242626g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 5
  • Complexity: 669
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.1
  • Topological Polar Surface Area: 196?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 669.3±55.0 °C at 760 mmHg
  • Flash Point: 238.5±25.0 °C
  • PSA: 195.60000
  • LogP: -3.92100
  • Vapor Pressure: 0.0±4.6 mmHg at 25°C

6beta-Hydroxyipolamiide Security Information

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