Cas no 65995-64-4 (punicalin)

punicalin structure
punicalin structure
Product Name:punicalin
CAS No:65995-64-4
MF:C34H22O22
MW:782.525291919708
MDL:MFCD09838018
CID:820452
PubChem ID:5464368
Update Time:2025-04-19

punicalin Chemical and Physical Properties

Names and Identifiers

    • Punicalin
    • Punicalin, mixture of anomers
    • GN-30
    • 4,6-Gallagyl-D-glucose
    • D-Glucose cyclic 4,6-[(2S,2'S)-2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]]
    • Pomegranate Hull P.E
    • BCP09702
    • (15R)-3,4,5,11,12,13,21,22,23,26,27,38,39-Tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7
    • NSC 636591
    • Pumcalin
    • 65995-64-4
    • CHEMBL502440
    • BDBM50377923
    • D-Glucose, cyclic 4,6-(2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo(1)benzopyrano(5,4,3-cde)(1)benzopyran-1,6-diyl)bis(3,4,5-trihydroxybenzoate)), (4(S,S))-
    • (10S,11R,12R,13R,15R)-3,4,5,11,12,13,21,22,23,26,27,38,39-Tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone
    • 4,6-(S,S)-Gallagyl-D-glucose
    • NCGC00247632-01
    • Q7260202
    • 3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone
    • BDBM33024
    • (10S,11R,12R,15R)-3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone
    • cid_5388496
    • 4,6-Gallagylglucose
    • MLS000697664
    • SMR000445568
    • CHEMBL416615
    • FT-0686690
    • AS-79878
    • NSC-636591
    • NSC636591
    • Q-100755
    • DA-57236
    • CHEBI:167696
    • DTXSID301030154
    • AKOS037514809
    • punicalin
    • MDL: MFCD09838018
    • Inchi: 1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2/t8-,25-,26-,27-,34?/m1/s1
    • InChI Key: IQHIEHIKNWLKFB-OBOTWMKHSA-N
    • SMILES: O1C([C@@H]([C@H]([C@H]2[C@H]1COC(C1C=C(C(=C(C=1C1C(=C(C3=C4C=1C(=O)OC1=C(C(=C(C5C(=C(C(=CC=5C(=O)O2)O)O)O)C(C(=O)O3)=C41)O)O)O)O)O)O)O)=O)O)O)O

Computed Properties

  • Exact Mass: 782.06000
  • Monoisotopic Mass: 782.06027233 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 0
  • Complexity: 1580
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 782.5
  • XLogP3: -0.3
  • Topological Polar Surface Area: 377

Experimental Properties

  • Color/Form: Powder
  • Density: 2.036
  • PSA: 385.24000
  • LogP: 0.01520

punicalin Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Storage Condition:?20°C

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(CAS:65995-64-4)石榴皮鞣素
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Amadis Chemical Company Limited
(CAS:65995-64-4)punicalin
A929572
Purity:99%
Quantity:10mg
Price ($):374.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:65995-64-4)石榴皮鞣素
LE2455649
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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