Cas no 37558-17-1 (Hexanoic acid,1,1'-[(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl]ester)

Hexanoic acid,1,1'-[(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl]ester structure
37558-17-1 structure
Product Name:Hexanoic acid,1,1'-[(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl]ester
CAS No:37558-17-1
MF:C32H48O8
MW:560.718730926514
CID:308270
PubChem ID:216643
Update Time:2025-04-19

Hexanoic acid,1,1'-[(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl]ester Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid,1,1'-[(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl]ester
    • Phorbol 12, 13-Dihexanoate
    • PHORBOL-12,13-DIHEXANOATE
    • 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one,1,1a-α-1b-β,4,4a,7a-α,7b,
    • l-1,1,6,8-α-tetramethyl-,9,9a-dihexanoate
    • Phorbol 12,13-Dihexanoate &amp
    • SCHEMBL2411275
    • 4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dihexanoate
    • CHEMBL3586008
    • DTXSID10958629
    • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha-1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-hydroxymethyl-1,1,6,8-alpha-tetramethyl-, 9,9a-dihexanoate
    • [(1S,2S,6R,10S,11R,13S,14R,15R)-13-hexanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexanoate
    • [hexanoyloxy-dihydroxy-(hydroxymethyl)-tetramethyl-oxo-[?]yl] hexanoate
    • 37558-17-1
    • Inchi： 1S/C32H48O8/c1-7-9-11-13-24(34)39-28-20(4)31(38)22(16-21(18-33)17-30(37)23(31)15-19(3)27(30)36)26-29(5,6)32(26,28)40-25(35)14-12-10-8-2/h15-16,20,22-23,26,28,33,37-38H,7-14,17-18H2,1-6H3/t20-,22+,23-,26-,28-,30-,31-,32-/m1/s1
    • InChI Key： XGPRSRGBAHBMAF-NQWCLMGHSA-N
    • SMILES： O(C(CCCCC)=O)[C@@]12[C@@H]([C@@H](C)[C@@]3([C@@H]4C=C(C)C([C@]4(CC(CO)=C[C@H]3[C@@H]1C2(C)C)O)=O)O)OC(CCCCC)=O

Computed Properties

  • Exact Mass: 560.33500
  • Monoisotopic Mass: 560.33491849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 13
  • Complexity: 1090
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 130?2

Experimental Properties

  • Density: 1.1006 (rough estimate)
  • Boiling Point: 546.15°C (rough estimate)
  • Refractive Index: 1.4900 (estimate)
  • PSA: 130.36000
  • LogP: 4.19250

Hexanoic acid,1,1'-[(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl]ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHENG KE LU SI SHENG WU JI SHU
sc-203421-1mg
Phorbol 12, 13-Dihexanoate,
 37558-17-1 >99%
1mg
 ￥564.00 2023-09-05
SHENG KE LU SI SHENG WU JI SHU
sc-203421-1 mg
Phorbol 12, 13-Dihexanoate,
 37558-17-1 >99%
1mg
 ￥564.00 2023-07-10

Hexanoic acid,1,1'-[(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl]ester Related Literature

Related Categories

37558-17-1 (Hexanoic acid,1,1'-[(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl]ester) Related Products

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