Cas no 69912-70-5 (1H-Naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylicacid, 2,3,4,4a,5,6,9,11,12,12b-decahydro-4,12b-dimethyl-9-oxo-, (4S,4aR,12bS)-)

1H-Naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylicacid, 2,3,4,4a,5,6,9,11,12,12b-decahydro-4,12b-dimethyl-9-oxo-, (4S,4aR,12bS)- structure
69912-70-5 structure
Product Name:1H-Naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylicacid, 2,3,4,4a,5,6,9,11,12,12b-decahydro-4,12b-dimethyl-9-oxo-, (4S,4aR,12bS)-
CAS No:69912-70-5
MF:C20H24O4
MW:328.402166366577
CID:521827
PubChem ID:20056039
Update Time:2025-04-19

1H-Naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylicacid, 2,3,4,4a,5,6,9,11,12,12b-decahydro-4,12b-dimethyl-9-oxo-, (4S,4aR,12bS)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylicacid, 2,3,4,4a,5,6,9,11,12,12b-decahydro-4,12b-dimethyl-9-oxo-, (4S,4aR,12bS)-
    • (4S)-2,3,4,4aβ,5,6,9,11,12,12b-Decahydro-4,12bα-dimethyl-9-oxo-1H-naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4α-carboxylic acid
    • 1H-Naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylicacid, 2,3,4,4a,5,6,9,11,12,12b-decahydro-4,12b-dimethyl-9-oxo-, [4S-(4a,4ab,12ba)]-
    • Hispaninic acid
    • (4S,4aR,12bS)-4,12b-Dimethyl-9-oxo-2,3,4,4a,5,6,9,11,12,12b-decahydro-1H-naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylic acid
    • DTXSID20601972
    • 69912-70-5
    • Inchi： 1S/C20H24O4/c1-19-8-3-9-20(2,18(22)23)16(19)7-5-12-10-15-13(4-6-14(12)19)11-17(21)24-15/h10-11,16H,3-9H2,1-2H3,(H,22,23)/t16-,19-,20+/m1/s1
    • InChI Key： BNJWIAKPZPKUQY-AHRSYUTCSA-N
    • SMILES： OC([C@@]1(C)CCC[C@]2(C)C3CCC4=CC(=O)OC4=CC=3CC[C@H]21)=O

Computed Properties

  • Exact Mass: 328.16752
  • Monoisotopic Mass: 328.16745924g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 726
  • 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: 3.1
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • PSA: 63.6

1H-Naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylicacid, 2,3,4,4a,5,6,9,11,12,12b-decahydro-4,12b-dimethyl-9-oxo-, (4S,4aR,12bS)- Related Literature

Related Categories

69912-70-5 (1H-Naphtho[1',2':5,6]cyclohepta[1,2-b]furan-4-carboxylicacid, 2,3,4,4a,5,6,9,11,12,12b-decahydro-4,12b-dimethyl-9-oxo-, (4S,4aR,12bS)-) Related Products

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