Cas no 919120-75-5 (3-[(1E)-2-[(1R,4aS,5R,8aR)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-6-oxo-1-naphthalenyl]ethenyl]-2(5H)-furanone)

3-[(1E)-2-[(1R,4aS,5R,8aR)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-6-oxo-1-naphthalenyl]ethenyl]-2(5H)-furanone structure
919120-75-5 structure
Product Name:3-[(1E)-2-[(1R,4aS,5R,8aR)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-6-oxo-1-naphthalenyl]ethenyl]-2(5H)-furanone
CAS No:919120-75-5
MF:C20H26O4
MW:330.418046474457
CID:6627669
Update Time:2024-03-01

3-[(1E)-2-[(1R,4aS,5R,8aR)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-6-oxo-1-naphthalenyl]ethenyl]-2(5H)-furanone Chemical and Physical Properties

Names and Identifiers

    • 3-[(1E)-2-[(1R,4aS,5R,8aR)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-6-oxo-1-naphthalenyl]ethenyl]-2(5H)-furanone
    • Inchi: 1S/C20H26O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-16,21H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,19+,20+/m1/s1
    • InChI Key: VZUQDSZLBXYRHS-WHCBKWPTSA-N
    • SMILES: O1CC=C(/C=C/[C@H]2[C@@]3(C)[C@@]([H])([C@@](CO)(C)C(=O)CC3)CCC2=C)C1=O

Experimental Properties

  • Density: 1.17±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 519.0±50.0 °C(Predicted)
  • pka: 14.29±0.10(Predicted)

3-[(1E)-2-[(1R,4aS,5R,8aR)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-6-oxo-1-naphthalenyl]ethenyl]-2(5H)-furanone Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Water ;  96 h, 28 °C
Reference
Cytotoxic biotransformed products from andrographolide by Rhizopus stolonifer ATCC 12939
He, Xiangjiu; et al, Journal of Molecular Catalysis B: Enzymatic, 2010, 62(3-4), 242-247

3-[(1E)-2-[(1R,4aS,5R,8aR)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-6-oxo-1-naphthalenyl]ethenyl]-2(5H)-furanone Raw materials

3-[(1E)-2-[(1R,4aS,5R,8aR)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-6-oxo-1-naphthalenyl]ethenyl]-2(5H)-furanone Preparation Products

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