Cas no 130838-00-5 (1-Naphthalenemethanol,8-(benzoyloxy)- decahydro-5-[(3E)-5-hydroxy-3-methyl-3- pentenyl]-1,4a-dimethyl-6-methylene-,(1R,- 4aR,5S,8R,8aR)-)

1-Naphthalenemethanol,8-(benzoyloxy)- decahydro-5-[(3E)-5-hydroxy-3-methyl-3- pentenyl]-1,4a-dimethyl-6-methylene-,(1R,- 4aR,5S,8R,8aR)- structure
130838-00-5 structure
Product Name:1-Naphthalenemethanol,8-(benzoyloxy)- decahydro-5-[(3E)-5-hydroxy-3-methyl-3- pentenyl]-1,4a-dimethyl-6-methylene-,(1R,- 4aR,5S,8R,8aR)-
CAS No:130838-00-5
MF:C27H38O4
MW:426.588228702545
CID:837238
PubChem ID:133561847
Update Time:2025-04-19

1-Naphthalenemethanol,8-(benzoyloxy)- decahydro-5-[(3E)-5-hydroxy-3-methyl-3- pentenyl]-1,4a-dimethyl-6-methylene-,(1R,- 4aR,5S,8R,8aR)- Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenemethanol,8-(benzoyloxy)- decahydro-5-[(3E)-5-hydroxy-3-methyl-3- pentenyl]-1,4a-dimethyl-6-methylene-,(1R,- 4aR,5S,8R,8aR)-
    • Scoparinol
    • (1R,4S,4aR,8R,8aR)-8-(Hydroxymethyl)-4-[(3E)-5-hydroxy-3-methyl-3 -penten-1-yl]-4a,8-dimethyl-3-methylenedecahydro-1-naphthalenyl b enzoate
    • 1-Naphthalenemethanol,8-(benzoyloxy)- decahydro-5-[(3E)-5-hydroxy-3-methyl-3- pentenyl]-1,4a-d...
    • 1-Naphthalenemethanol,8-(benzoyloxy)- decahydro-5-[(3E)-5-hydroxy-3-methyl-3- pentenyl]-1,4a-dimethyl-6-methylene-,(1R,- 4aR,
    • Scopadiol
    • [ "Scopadiol" ]
    • Scoparil
    • HY-N1253
    • CS-0016656
    • FS-10294
    • [(1R,4S,4aR,8R,8aR)-8-(hydroxymethyl)-4-[(E)-5-hydroxy-3-methylpent-3-enyl]-4a,8-dimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] benzoate
    • AKOS040762318
    • 130838-00-5
    • DA-67490
    • Inchi： 1S/C27H38O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,22-24,28-29H,2,8,11-12,14-18H2,1,3-4H3/b19-13+/t22-,23+,24-,26-,27+/m0/s1
    • InChI Key： WGSYIFPPMZUQAN-IZCLTQQPSA-N
    • SMILES： O(C(C1C=CC=CC=1)=O)[C@@H]1CC(=C)[C@H](CC/C(=C/CO)/C)[C@@]2(C)CCC[C@@](C)(CO)[C@@H]21

Computed Properties

  • Exact Mass: 426.27700
  • Monoisotopic Mass: 426.27700969g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 8
  • Complexity: 677
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.7
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 544.3±30.0 °C at 760 mmHg
  • Flash Point: 173.8±18.1 °C
  • PSA: 66.76000
  • LogP: 5.31190
  • Vapor Pressure: 0.0±1.5 mmHg at 25°C

1-Naphthalenemethanol,8-(benzoyloxy)- decahydro-5-[(3E)-5-hydroxy-3-methyl-3- pentenyl]-1,4a-dimethyl-6-methylene-,(1R,- 4aR,5S,8R,8aR)- Security Information

1-Naphthalenemethanol,8-(benzoyloxy)- decahydro-5-[(3E)-5-hydroxy-3-methyl-3- pentenyl]-1,4a-dimethyl-6-methylene-,(1R,- 4aR,5S,8R,8aR)- Pricemore >>

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1-Naphthalenemethanol,8-(benzoyloxy)- decahydro-5-[(3E)-5-hydroxy-3-methyl-3- pentenyl]-1,4a-dimethyl-6-methylene-,(1R,- 4aR,5S,8R,8aR)- Related Literature

Related Categories

130838-00-5 (1-Naphthalenemethanol,8-(benzoyloxy)- decahydro-5-[(3E)-5-hydroxy-3-methyl-3- pentenyl]-1,4a-dimethyl-6-methylene-,(1R,- 4aR,5S,8R,8aR)-) Related Products

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