Beta-belladonnine

Catalog Number	ACM6696635
CAS Number	6696-63-5
Synonyms	1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, (1R,4R)-rel- (9CI)
Molecular Weight	542.7
InChI	InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23-,24+,25-,26+,27,28,30-,34-/m1/s1
InChI Key	GERIGMSHTUAXSI-SMQSVUFBSA-N
Purity	95%+
Complexity	922
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Exact Mass	542.31445783
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isomeric SMILES	CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H]3CC[C@](C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6C[C@H]7CC[C@@H](C6)N7C
Monoisotopic Mass	542.31445783
PhysicalState	Powder
Rotatable Bond Count	7
Topological Polar Surface Area	59.1 Ų

Custom Q&A

What is the chemical name of Beta-Belladonnine?

1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, bis[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] ester, (1R,4R)-rel-

What is the molecular formula of Beta-Belladonnine?

C34H42N2O4

What is the molecular weight of Beta-Belladonnine?

542.71 g/mol

What is the CAS number of Beta-Belladonnine?

6696-63-5

What are some synonyms of Beta-Belladonnine?

Beta-Belladonnine, a-Belladonnine

What is the stereochemistry of Beta-Belladonnine?

(1R,4R)-rel-

What is the ester group in the chemical structure of Beta-Belladonnine derived from?

1,4-Naphthalenedicarboxylic acid

What is the significance of the tetrahydro-1-phenyl portion in Beta-Belladonnine's structure?

It contributes to the overall pharmacological properties of the compound.

What is the biological relevance of Beta-Belladonnine?

Beta-Belladonnine is a compound found in the plant genus Atropa, known for its toxic and hallucinogenic properties.

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