(+)-Mesembrenone

CAS Registry Number®

468-54-2

CAS Name

(+)-Mesembrenone

Molecular Formula

C17H21NO3

Molecular Mass

287.35

Cite this Page

(+)-Mesembrenone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=468-54-2 (retrieved 2024-11-22) (CAS RN: 468-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1

InChIKey

InChIKey=HDNHBCSWFYFPAN-IRXDYDNUSA-N

SMILES

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

Canonical SMILES

O=C1C=CC2(C3=CC=C(OC)C(OC)=C3)CCN(C)C2C1

Other Names for this Substance

  • 6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)-1,2,3,3a,7,7a-hexahydro-1-methyl-, (3aR,7aS)-
  • 6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)-1,2,3,3a,7,7a-hexahydro-1-methyl-, (3aR-cis)-
  • (3aR,7aS)-3a-(3,4-Dimethoxyphenyl)-1,2,3,3a,7,7a-hexahydro-1-methyl-6H-indol-6-one
  • (+)-Mesembrenone
  • (+)-Mesembrenine

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Deleted or Replaced CAS Registry Numbers

1359-66-6, 30576-20-6

CAS INSIGHTSTM
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