Cas no 468-53-1 (6H-Indol-6-one,3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, (3aR,7aR)-)

6H-Indol-6-one,3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, (3aR,7aR)- structure
468-53-1 structure
Product Name:6H-Indol-6-one,3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, (3aR,7aR)-
CAS No:468-53-1
MF:C17H23NO3
MW:289.369425058365
CID:330443
PubChem ID:193296
Update Time:2025-07-11

6H-Indol-6-one,3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, (3aR,7aR)- Chemical and Physical Properties

Names and Identifiers

    • 6H-Indol-6-one,3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, (3aR,7aR)-
    • 3a-(3,4-dimethoxyphenyl)-1-methyl-octahydro-1H-indol-6(2H)-one
    • Mesembrine
    • 3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one
    • 6H-INDOL-6-ONE, 3A-(3,4-DIMETHOXYPHENYL)OCTAHYDRO-1-METHYL-, (3AR-CIS)-
    • rel-(3aR,7aR)-3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one
    • P5X28MLQ1Z
    • UNII-P5X28MLQ1Z
    • DTXSID301152968
    • 6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, (3aR,7aR)-
    • HY-121162
    • MESEMBRINE (+)-FORM [MI]
    • CS-0079573
    • Mesembrine, (+)-
    • (3aR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
    • (3ar,7ar)-3a-(3,4-dimethoxyphenyl)-1-methyloctahydro-6h-indol-6-one
    • (3AR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methylhexahydro-1H-indol-6(2H)-one
    • SCHEMBL225653
    • Q2580349
    • (+)-MESEMBRANONE
    • 468-53-1
    • (3aR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-octahydro-1H-indol-6-one
    • (+)-Mesembrine
    • Inchi： 1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m1/s1
    • InChI Key： DAHIQPJTGIHDGO-IAGOWNOFSA-N
    • SMILES： O=C1CC[C@]2(C3C=CC(=C(C=3)OC)OC)CCN(C)[C@@H]2C1

Computed Properties

  • Exact Mass: 289.16789
  • Monoisotopic Mass: 289.168
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 400
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.8A^2
  • XLogP3: 2

Experimental Properties

  • Density: 1.133
  • Boiling Point: 419.2°Cat760mmHg
  • Flash Point: 207.3°C
  • Refractive Index: 1.548
  • PSA: 38.77
  • LogP: 2.33660

6H-Indol-6-one,3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, (3aR,7aR)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM233718-1g
(3AR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methylhexahydro-1H-indol-6(2H)-one
 468-53-1 97%
1g
 $448 2021-06-09
Chemenu
CM233718-1g
(3AR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methylhexahydro-1H-indol-6(2H)-one
 468-53-1 97%
1g
 $448 2024-07-16
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
XD02753-5g
(3aR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyloctahydro-6H-indol-6-one
 468-53-1 98%%
5g
 $1950 2023-09-07
Crysdot LLC
CD11120859-1g
(3AR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methylhexahydro-1H-indol-6(2H)-one
 468-53-1 97%
1g
 $474 2024-07-17

6H-Indol-6-one,3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, (3aR,7aR)- Related Literature

Related Categories

468-53-1 (6H-Indol-6-one,3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, (3aR,7aR)-) Related Products

Recommended suppliers
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent