Cas no 30272-17-4 (Grayanotox-10(20)-ene-3,5,6,14,16-pentol,14-acetate, (3b,6b,14R)-)

Grayanotox-10(20)-ene-3,5,6,14,16-pentol,14-acetate, (3b,6b,14R)- structure
30272-17-4 structure
Product Name:Grayanotox-10(20)-ene-3,5,6,14,16-pentol,14-acetate, (3b,6b,14R)-
CAS No:30272-17-4
MF:C22H34O6
MW:394.501767635345
CID:313110
PubChem ID:101316771
Update Time:2025-04-19

Grayanotox-10(20)-ene-3,5,6,14,16-pentol,14-acetate, (3b,6b,14R)- Chemical and Physical Properties

Names and Identifiers

    • Grayanotox-10(20)-ene-3,5,6,14,16-pentol,14-acetate, (3b,6b,14R)-
    • 30272-17-4
    • 7,9A-METHANO-9AH-CYCLOPENTA(B)HEPTALENE-2,8,11,11A,12(1H)-PENTOL, DODECAHYDRO-1,1,8-TRIMETHYL-4-METHYLENE-, 12-ACETATE, (2S,3AS,4AS,7R,4AR,8R,9AS,11R,11AR,12R)-(-)-
    • .DELTA.10(18)-ANDROMEDENOL, ACETATE
    • .DELTA.10(18)-ACETYLANDROMEDENOL
    • NS00093892
    • 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,8,11,11a,12(1H)-pentol, dodecahydro-1,1,8-trimethyl-4-methylene-, 12-acetate, (2S,3aS,4aS,7R,4aR,8R,9aS,11R,12R)-(-)-
    • UNII-GUQ33O7179
    • CHEMBL4554321
    • GUQ33O7179
    • GRAYANOTOX-10(20)-ENE-3,5,6,14,16-PENTOL, 14-ACETATE, (3.BETA.,6.BETA.,14R)-
    • Grayanotoxin IV
    • delta(sup-10(18))-Acetylandromedenol
    • DTXSID80952634
    • BRN 2227742
    • ACETYLANDROMED-10(18)-ENOL
    • [(1S,3R,4R,6S,8S,10S,13R,14R,16R)-3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidene-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
    • Inchi： 1S/C22H34O6/c1-11-13-6-7-14-18(28-12(2)23)21(13,10-20(14,5)26)9-17(25)22(27)15(11)8-16(24)19(22,3)4/h13-18,24-27H,1,6-10H2,2-5H3/t13-,14+,15-,16-,17+,18+,20+,21-,22-/m0/s1
    • InChI Key： RVBLUTOAMOFHON-PWQJHGGPSA-N
    • SMILES： O(C(C)=O)[C@@H]1[C@H]2CC[C@H]3C(=C)[C@@H]4C[C@@H](C(C)(C)[C@]4([C@@H](C[C@]31C[C@@]2(C)O)O)O)O

Computed Properties

  • Exact Mass: 394.236
  • Monoisotopic Mass: 394.236
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 718
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 107A^2

Experimental Properties

  • Density: 1.28
  • Melting Point: -14 deg C
  • Boiling Point: 521.3°C at 760 mmHg
  • Flash Point: 174.9°C
  • Refractive Index: 1.585

Grayanotox-10(20)-ene-3,5,6,14,16-pentol,14-acetate, (3b,6b,14R)- Security Information

  • Hazardous Material transportation number：3172
  • HazardClass：6.1(a)
  • PackingGroup：I

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