Cas no 52992-82-2 (methyl (1S,4aS,5R,8aR)-5-[(E)-5-acetyloxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylidene-decalin-1-carboxylate)

methyl (1S,4aS,5R,8aR)-5-[(E)-5-acetyloxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylidene-decalin-1-carboxylate structure
52992-82-2 structure
Product Name:methyl (1S,4aS,5R,8aR)-5-[(E)-5-acetyloxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylidene-decalin-1-carboxylate
CAS No:52992-82-2
MF:C22H34O4
MW:362.502967357636
CID:373685
PubChem ID:6440360
Update Time:2025-04-19

methyl (1S,4aS,5R,8aR)-5-[(E)-5-acetyloxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylidene-decalin-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl (1S,4aS,5R,8aR)-5-[(E)-5-acetyloxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylidene-decalin-1-carboxylate
    • Acetylisocupressic acid
    • methyl (1S,4aS,5R,8aR)-5-[(E)-5-acetyloxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylidene-decali...
    • 52992-82-2
    • Acetylisocupressicacid
    • 1-Naphthalenecarboxylic acid, 5-((3E)-5-(acetyloxy)-3-methyl-3-pentenyl)decahydro-1,4a-dimethyl-6-methylene-, (1S,4aR,5S,8aR)-
    • methyl (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
    • (13E)-15-Acetoxy-8(17),13-labdadiene-19-oic acid
    • (1S,8aα)-Decahydro-1,4aβ-dimethyl-6-methylene-5β-[(E)-3-methyl-5-(acetyloxy)-3-pentenyl]naphthalene-1β-carboxylic acid
    • (E)-15-Acetoxy-8(17),13-labdadiene-19-oic acid
    • 15-Acetoxyisocupressic acid
    • 1-Naphthalenecarboxylic acid, 5-[(3E)-5-(acetyloxy)-3-methyl-3-penten-1-yl]decahydro-1,4a-dimethyl-6-methylene-, (1S,4aR,5S,8aR)-
    • [ "" ]
    • Inchi： 1S/C22H34O4/c1-15(12-14-26-17(3)23)8-10-19-16(2)9-11-20-18(21(24)25-5)7-6-13-22(19,20)4/h12,18-20H,2,6-11,13-14H2,1,3-5H3/b15-12+/t18-,19-,20+,22-/m0/s1
    • InChI Key： MGQMYSVCEMGOPL-WQTQMUQDSA-N
    • SMILES： O(C)C([C@H]1CCC[C@@]2(C)[C@@H](CC/C(=C/COC(C)=O)/C)C(=C)CC[C@@H]21)=O

Computed Properties

  • Exact Mass: 362.24582
  • Monoisotopic Mass: 362.24570956g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 8
  • Complexity: 577
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.1
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Color/Form: Oil
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 471.4±38.0 °C at 760 mmHg
  • Flash Point: 153.7±20.3 °C
  • PSA: 52.6
  • Vapor Pressure: 0.0±2.5 mmHg at 25°C

methyl (1S,4aS,5R,8aR)-5-[(E)-5-acetyloxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylidene-decalin-1-carboxylate Security Information

methyl (1S,4aS,5R,8aR)-5-[(E)-5-acetyloxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylidene-decalin-1-carboxylate Pricemore >>

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methyl (1S,4aS,5R,8aR)-5-[(E)-5-acetyloxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylidene-decalin-1-carboxylate Related Literature

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