Cas no 2202-01-9 (1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(tetrahydro-2-methyl-5- oxo-2-furanyl)-,(3S,3aR,5aR,6S,7R,9aR,- 9bR)-)

1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(tetrahydro-2-methyl-5- oxo-2-furanyl)-,(3S,3aR,5aR,6S,7R,9aR,- 9bR)- structure
2202-01-9 structure
Product Name:1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(tetrahydro-2-methyl-5- oxo-2-furanyl)-,(3S,3aR,5aR,6S,7R,9aR,- 9bR)-
CAS No:2202-01-9
MF:C27H42O4
MW:430.619988918304
CID:272957
PubChem ID:76313961
Update Time:2025-04-19

1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(tetrahydro-2-methyl-5- oxo-2-furanyl)-,(3S,3aR,5aR,6S,7R,9aR,- 9bR)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(tetrahydro-2-methyl-5- oxo-2-furanyl)-,(3S,3aR,5aR,6S,7R,9aR,- 9bR)-
    • Eichlerialactone
    • 1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(t...
    • 1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(tetrahydro-2-methyl-5- oxo-2-fur
    • [ "" ]
    • 3,4-Seco-18-nor-5-cholane-3,24-dioic acid, 20-hydroxy-4,8,14-trimethyl-4-methylene-, -lactone, (20S)-
    • 2202-01-9
    • HY-N3800
    • 18-Nor-3,4-seco-5-cholane-3,24-dioic acid, 20-hydroxy-4,8,14-trimethyl-4-methylene-, -lactone
    • FS-9582
    • CHEMBL3109460
    • 3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-3-[(2S)-2-methyl-5-oxooxolan-2-yl]-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
    • CS-0024245
    • AKOS032962092
    • 3-((3S,3aR,5aR,6S,7S,9aR,9bR)-6,9a,9b-trimethyl-3-((2S)-2-methyl-5-oxooxolan-2-yl)-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta(a)naphthalen-6-yl)propanoic acid
    • 20-Hydroxy-4,8,14-trimethyl-4-methylene-18-nor-3,4-seco-5beta-cholane-3,24-dioic acid gamma-lactone
    • Inchi： 1S/C27H42O4/c1-17(2)18-9-15-26(5)21(24(18,3)13-11-22(28)29)8-7-19-20(10-14-25(19,26)4)27(6)16-12-23(30)31-27/h18-21H,1,7-16H2,2-6H3,(H,28,29)/t18-,19+,20-,21+,24-,25+,26+,27-/m0/s1
    • InChI Key： LEKUPXHLKIIVCR-FAKJQIDCSA-N
    • SMILES： O1C(CC[C@@]1(C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 430.30800
  • Monoisotopic Mass: 430.308
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 5
  • Complexity: 788
  • 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
  • Topological Polar Surface Area: 63.6A^2
  • XLogP3: 6.9

Experimental Properties

  • Color/Form: Powder
  • PSA: 63.60000
  • LogP: 6.38810

1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(tetrahydro-2-methyl-5- oxo-2-furanyl)-,(3S,3aR,5aR,6S,7R,9aR,- 9bR)- Security Information

1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(tetrahydro-2-methyl-5- oxo-2-furanyl)-,(3S,3aR,5aR,6S,7R,9aR,- 9bR)- Pricemore >>

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1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(tetrahydro-2-methyl-5- oxo-2-furanyl)-,(3S,3aR,5aR,6S,7R,9aR,- 9bR)- Related Literature

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2202-01-9 (1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-[(1S)- 1-methylethenyl]-3-(tetrahydro-2-methyl-5- oxo-2-furanyl)-,(3S,3aR,5aR,6S,7R,9aR,- 9bR)-) Related Products

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