[(4Z,6R,7R,8S,10Z,12Z,14Z,16R)-6,22,24-trihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-8-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate

Modify Date: 2024-04-10 20:25:25

[(4Z,6R,7R,8S,10Z,12Z,14Z,16R)-6,22,24-trihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-8-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate structure	Common Name	[(4Z,6R,7R,8S,10Z,12Z,14Z,16R)-6,22,24-trihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-8-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
	CAS Number	80111-48-4	Molecular Weight	638.79100
	Density	1.21g/cm3	Boiling Point	834.5ºC at 760 mmHg
	Molecular Formula	C₃₆H₅₀N₂O₈	Melting Point	N/A
	MSDS	N/A	Flash Point	458.5ºC

Name	[(4Z,6R,7R,8S,10Z,12Z,14Z,16R)-6,22,24-trihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-8-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate
Synonym	More Synonyms

Density	1.21g/cm3
Boiling Point	834.5ºC at 760 mmHg
Molecular Formula	C₃₆H₅₀N₂O₈
Molecular Weight	638.79100
Flash Point	458.5ºC
Exact Mass	638.35700
PSA	154.42000
LogP	5.91530
Index of Refraction	1.588

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AY4553430

CHEMICAL NAME :: L-Alanine, N-(cyclohexylcarbonyl)-, 11-ester with 20,23-didehydro-20,23-dideoxo- 20,23-dihydroxyansatrienol A

CAS REGISTRY NUMBER :: 80111-48-4

LAST UPDATED :: 199403

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C36-H50-N2-O8

MOLECULAR WEIGHT :: 638.88

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 :: 85500 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #83-94393

Ansatrienin B

Antibiotic T 23II