Cas no 78916-53-7 (2H-Cyclopenta[b]naphtho[2,3-d]furan-10-carboxylicacid,2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester, (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)- (9CI))

2H-Cyclopenta[b]naphtho[2,3-d]furan-10-carboxylicacid,2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester, (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)- (9CI) structure
78916-53-7 structure
Product Name:2H-Cyclopenta[b]naphtho[2,3-d]furan-10-carboxylicacid,2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester, (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)- (9CI)
CAS No:78916-53-7
MF:C26H32O7
MW:456.528088569641
CID:568756
PubChem ID:157277
Update Time:2025-04-19

2H-Cyclopenta[b]naphtho[2,3-d]furan-10-carboxylicacid,2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester, (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-carboxylicacid,2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester, (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)- (9CI)
    • 2H-Cyclopenta(b)naphtho(2,3-d)furan-10-carboxylic acid,2-(3-furanyl)-3 ,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a,10a-tetrameth yl-9-oxo-, methyl ester, (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)-
    • 2H-Cyclopenta(b)naphtho(2,3-d)furan-10-carboxylic acid,2-(3-furanyl)-3 ,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a,10a-tetrameth yl-9-oxo-, methyl ester, (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10a
    • 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-carboxylicacid,2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a
    • 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-carboxylicacid,2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester, (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)-
    • Methyl [2-(furan-3-yl)-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-10-yl]acetate
    • 2H-Cyclopenta(b)naphtho(2,3-d)furan-10-carboxylic acid,2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-, methyl ester, (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)-
    • DTXSID001000140
    • 78916-53-7
    • Inchi： 1S/C26H32O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)26(4)17(11-19(28)31-5)25(3)18(27)6-8-24(2,30)22(25)21(29)23(26)33-16/h6-9,12,15-17,21-23,29-30H,10-11H2,1-5H3/t15-,16+,17-,21-,22+,23-,24-,25-,26-/m1/s1
    • InChI Key： PFQPGZDVNHHXLR-DRHPPGAKSA-N
    • SMILES： O1[C@H]2C[C@@H](C3=COC=C3)C(C)=C2[C@]2(C)[C@H]1[C@@H]([C@H]1[C@@](C)(C=CC([C@@]1(C)[C@H]2CC(=O)OC)=O)O)O

Computed Properties

  • Exact Mass: 456.21480336g/mol
  • Monoisotopic Mass: 456.21480336g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 4
  • Complexity: 939
  • 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: 106?2

2H-Cyclopenta[b]naphtho[2,3-d]furan-10-carboxylicacid,2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester, (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)- (9CI) Related Literature

Related Categories

78916-53-7 (2H-Cyclopenta[b]naphtho[2,3-d]furan-10-carboxylicacid,2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-5,6-dihydroxy-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester, (2R,3aS,4aS,5R,5aS,6R,9aR,10S,10aR)- (9CI)) Related Products

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