Himbeline - CAS 518-99-0

Catalog: BB064153
Product Name: Himbeline
CAS: 518-99-0
Synonyms: Himbeline (6CI); [3S-[3a,3aa,4b[1E,2(2S*,6R*)],4ab,8aa,9aa]]-decahydro-3-methyl-4-[2-(6-methyl-2-piperidinyl)ethenyl]naphtho[2,3-c]furan-1(3H)-one; (3S,3aR,4R,4aS,8aR,9aS)-Decahydro-3-methyl-4-[(1E)-2-[(2R,6S)-6-methyl-2-piperidinyl]ethenyl]naphtho[2,3-c]furan-1(3H)-one; (+)-Himbeline; Himbelin; N-Demethylhimbacine
Himbeline
IUPAC Name:(3S,3aR,4R,4aS,8aR,9aS)-3-methyl-4-[(E)-2-[(2S,6R)-6-methylpiperidin-2-yl]ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Description:Himbeline is used in the enantioselective total synthesis of (+)-himbacine and (+)-himbeline from (S)-2-methylpiperidine L-tartrate.
Molecular Weight:331.49
Molecular Formula:C21H33NO2
Canonical SMILES:CC1CCCC(N1)C=CC2C3CCCCC3CC4C2C(OC4=O)C
InChI:InChI=1S/C21H33NO2/c1-13-6-5-8-16(22-13)10-11-18-17-9-4-3-7-15(17)12-19-20(18)14(2)24-21(19)23/h10-11,13-20,22H,3-9,12H2,1-2H3/b11-10+/t13-,14+,15-,16+,17+,18-,19+,20-/m1/s1
InChI Key:GEQKTSPOTKEYOG-RQEHFGSBSA-N
References:Chackalamannil, S.; et al. JACS, 118, 9812 (1996).

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