N-Acetyl tetrahydrojervine structure

N-Acetyl tetrahydrojervine

4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one

Also Known As: N-Acetyl tetrahydrojervine|JERVINE, TETRAHYDRO-|28-Acetyl-3-hydroxy-5,6,12,13-tetrahydro-17,23-epoxyveratraman-11-one|4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one

CAS: 7595-52-0
Molecular Formula C29H45NO4
Molecular Weight 471.33487 g/mol
LogP 4.4
Topological Polar Surface Area 66.8 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 0
Exact Mass 471.33487
Monoisotopic Mass 471.33487
Heavy Atoms 34
Complexity 874.0

Chemical Identifiers

CAS Number 7595-52-0
SMILES CC1CC2C(C(C3(O2)CCC4C5CCC6CC(CCC6(C5C(=O)C4C3C)C)O)C)N(C1)C(=O)C
InChIKey CZISQJYYVSYYBE-UHFFFAOYSA-N

Product Overview

N-Acetyl tetrahydrojervine (CAS 7595-52-0), with molecular formula C29H45NO4 and molecular weight 471.33487 g/mol. IUPAC: 4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one.

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