Cas no 568-53-6 (α-Peltatin)

α-Peltatin structure
α-Peltatin structure
Product Name:α-Peltatin
CAS No:568-53-6
MF:C21H20O8
MW:400.378706932068
CID:370600
PubChem ID:92129
Update Time:2025-04-19

α-Peltatin Chemical and Physical Properties

Names and Identifiers

    • Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-,(5R,5aR,8aR)-
    • (5aR,8aR,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
    • alpha-peltatin
    • Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-,(5R,5aR
    • α-Peltatin
    • CHEBI:10324
    • NCI 1074
    • NSC24817
    • PELTATIN A
    • NSC35463
    • CHEMBL95972
    • NSC-24817
    • SCHEMBL15220296
    • [5R-(5alpha,5aalpha,5abeta,8aalpha)]-5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',3':6,7]naphtho[2,3-d]-1,3-dioxo-6(5aH)-one
    • FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-10-HYDROXY-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R,5AR,8AR)-
    • Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-
    • Naphtho[2,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(hydroxymethyl)-, .gamma.-lactone
    • HY-N8745
    • NSC-35463
    • 8-hydroxy-2-hydroxymethyl-6,7-methylenedioxy-4-(4'-hydroxy-3',5'-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-3-carboxylic acid lactone
    • Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-
    • alpha-Peltatin A
    • AKOS040761342
    • (5R,5AR,8AR)-5,8,8A,9-TETRAHYDRO-10-HYDROXY-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)FURO(3,4:6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE
    • DTXSID30205349
    • (5R,5aR,8aR)-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
    • EHO76Y1JAO
    • Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-
    • NCI60_001980
    • PD011321
    • 568-53-6
    • .ALPHA.-PELTATIN A
    • NS00094675
    • .ALPHA.-PELTATIN [MI]
    • UNII-EHO76Y1JAO
    • Q27108616
    • .alpha.-Peltatin
    • (5aR,8aR,9R)-4-hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
    • PELTATIN, ALPHA
    • Peltatin-A
    • NSC 24817
    • NCI-1074
    • CS-0148999
    • a-Peltatin
    • JGGWNGRBXJWAOC-HKJPBSJPSA-N
    • DA-53445
    • Inchi: 1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1
    • InChI Key: JGGWNGRBXJWAOC-HKJPBSJPSA-N
    • SMILES: O1C([C@@H]2[C@H](C3C=C(C(=C(C=3)OC)O)OC)C3C=C4C(=C(C=3C[C@H]2C1)O)OCO4)=O

Computed Properties

  • Exact Mass: 406.16278
  • Monoisotopic Mass: 400.11581759g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 3
  • Complexity: 614
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • PSA: 103.68
  • LogP: 2.32090
  • Specific Rotation: D20 -124.8° (c = 0.5 in chloroform)

α-Peltatin Pricemore >>

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