Mesembrine

• CAS: 468-53-1
• Catalog Number: ACM468531
• Category: Other Products
• Molecular Weight: 289.4
• Synonyms: (3aR,7aR)-3a-(3,4-Dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
• InChI: 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
• Complexity: 400
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 289.1677936
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CN1CC[C@@]2([C@H]1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC
• Monoisotopic Mass: 289.1677936
• Physical State: Powder
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 38.8 Ų

Custom Q&A

What is the molecular formula of Mesembrine?

The molecular formula of Mesembrine is C17H23NO3.

What is the molecular weight of Mesembrine?

The molecular weight of Mesembrine is 289.4 g/mol.

Where is Mesembrine found in nature?

Mesembrine is a natural product found in Mesembryanthemum cordifolium, Oscularia deltoides, and other organisms.

What is the IUPAC name of Mesembrine?

The IUPAC name of Mesembrine is (3aS,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one.

What is the InChIKey of Mesembrine?

The InChIKey of Mesembrine is DAHIQPJTGIHDGO-IRXDYDNUSA-N.

What is the Canonical SMILES of Mesembrine?

The Canonical SMILES of Mesembrine is CN1CCC2(C1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC.

How many hydrogen bond acceptors does Mesembrine have?

Mesembrine has 4 hydrogen bond acceptors.

What is the topological polar surface area of Mesembrine?

The topological polar surface area of Mesembrine is 38.8 Ų.

How many defined atom stereocenters does Mesembrine have?

Mesembrine has 2 defined atom stereocenters.

What is the complexity of Mesembrine?

The complexity of Mesembrine is 400.