Naphtho[2,3-c]furan-1(3H)-one,4-[(1E)-2-[(2R,6S)-1,6-dimethyl-2-piperidinyl]ethenyl]decahydro-3-methyl-,(3S,3aR,4R,4aS,8aR,9aS)-

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Names

[ CAS No. ]:
6879-74-9

[ Name ]:
Naphtho[2,3-c]furan-1(3H)-one,4-[(1E)-2-[(2R,6S)-1,6-dimethyl-2-piperidinyl]ethenyl]decahydro-3-methyl-,(3S,3aR,4R,4aS,8aR,9aS)-

[Synonym ]:
EINECS 205-938-6
MFCD00274559
(+)-himbacine
himbacine

Chemical & Physical Properties

[ Boiling Point ]:
469.648ºC at 760 mmHg

[ Melting Point ]:
130-136ºC

[ Molecular Formula ]:
C22H35NO2

[ Molecular Weight ]:
345.51900

[ Flash Point ]:
142.902ºC

[ Exact Mass ]:
345.26700

[ PSA ]:
29.54000

[ LogP ]:
4.35730

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QL0843500
CHEMICAL NAME :
Naphtho(2,3-c)furan-1(3H)-one, decahydro-4-(2-(1,6-dimethyl-2-piperidinyl)ethenyl)-3 -methyl-, (3S-(3-alpha,3a-alpha,4-beta(1E,2(2R*,6S*)),4a-beta,8 a-alpha,9a-alpha))-
CAS REGISTRY NUMBER :
6879-74-9
LAST UPDATED :
199212
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C22-H35-N-O2
MOLECULAR WEIGHT :
345.58

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
231 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DDREDK Drug Development Research. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 24,127,1991

Safety Information

[ Safety Phrases ]:
S24/25

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Formaldehyde
  • (S)-(+)-N-[1-(1-NAPHTHYL)ETHYL]-3,5-DINITROBENZAMIDE
  • 1,1-dimethyl[(2R,6S)-2-[(1E)-iodoethenyl]-6-methyl-1-piperidine]carboxylate
  • tert-butyl (S)-(7-(dimethoxyphosphoryl)-6-oxoheptan-2-yl)carbamate
  • (3S,3aR,4R,4aS,8aS)-3-methyl-4-((E)-2-((6S)-6-methylpiperidin-2-yl)vinyl)-3a,4,4a,5,6,7,8,8a-octahydronaphtho[2,3-c]furan-1(3H)-one

DownStream

Related Compounds

  • 2-bromo-1-(5-tert-butyl-2-methyl-2H-pyrazol-3-yl)-ethanone
  • (1,3-Oxazol-4-yl)methanethiol
  • (S)-2-((tert-Butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid
  • Ethyl 4-(2-ethoxy-1-methyl-2-oxoethoxy)-2,4,6-trimethyl-7-oxo-3,5,8-trioxa-4-siladecanoate
  • tert-Butyl((4-(chloromethyl)benzyl)oxy)dimethylsilane
  • Benzyl 3-(3-bromophenyl)-3-vinylpyrrolidine-1-carboxylate
  • tert-butyl 2-(3-(3-chloro-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)-2-methylbutylcarbamate
  • 4-Iodo-3-(trifluoromethyl)-1-trityl-pyrazolo[3,4-b]pyridine
  • Ethyl 3-(cyclohexylamino)-2,2-dimethylpropanoate
  • 8-Bromo-5-methyl-[1,2,4]-triazolo[4,3-a]quinolin-1-one
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