rel-(3aR,7aR)-3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one

CAS Registry Number®

6023-73-0

CAS Name

rel-(3aR,7aR)-3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one

Molecular Formula

C17H23NO3

Molecular Mass

289.37

Cite this Page

rel-(3aR,7aR)-3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6023-73-0 (retrieved 2024-10-06) (CAS RN: 6023-73-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    178 °C @ Press: 0.07 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1/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-/s2

InChIKey

InChIKey=DAHIQPJTGIHDGO-RXQGYGPJNA-N

SMILES

CN1[C@]2([C@@](CC1)(CCC(=O)C2)C3=CC(OC)=C(OC)C=C3)[H]

Canonical SMILES

O=C1CCC2(C3=CC=C(OC)C(OC)=C3)CCN(C)C2C1

Other Names for this Substance

  • 6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, (3aR,7aR)-rel-
  • Mesembrine, (±)-
  • 6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, cis-(±)-
  • rel-(3aR,7aR)-3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one
  • (±)-Mesembrine

View All

Deleted or Replaced CAS Registry Numbers

35056-47-4

CAS INSIGHTSTM
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