SIMMONDSIN

Modify Date: 2024-01-13 13:00:14

SIMMONDSIN structure	Common Name	SIMMONDSIN
	CAS Number	51771-52-9	Molecular Weight	375.37100
	Density	1.45g/cm3	Boiling Point	637.5ºC at 760mmHg
	Molecular Formula	C₁₆H₂₅NO₉	Melting Point	N/A
	MSDS	N/A	Flash Point	339.4ºC

Name	(2Z)-2-[(2S,3R,4S,6R)-2-hydroxy-3,4-dimethoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile

Density	1.45g/cm3
Boiling Point	637.5ºC at 760mmHg
Molecular Formula	C₁₆H₂₅NO₉
Molecular Weight	375.37100
Flash Point	339.4ºC
Exact Mass	375.15300
PSA	161.86000
Index of Refraction	1.58

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM0250000

CHEMICAL NAME :: Acetonitrile, (6-(beta-D-glucopyranosyloxy)-2-hydroxy-3,4-dimethoxy cyclohexylidene)-, (1Z,2-alpha,3-beta,4-beta,6-beta)-

CAS REGISTRY NUMBER :: 51771-52-9

LAST UPDATED :: 199309

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H25-N-O9

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1250 mg/kg/5D-I

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 40,2443,1992

Precursor 6
CAS#:51385-17-2 simmondsin pent... CAS#:58769-23-6 1L-3,4,:5,6-di-... CAS#:19647-44-0 1,2:5,6-diisopr... CAS#:142543-94-0 1D-(1,2,5/3,4)-...
CAS#:135131-64-5 1D-(1,2,5/3,4)-... CAS#:142543-96-2 (2Z)-(1R,3S,4S,...
DownStream 0

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Simmondsin
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Purity: 98.0%
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Contact: Yang
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: SIMMONDSIN
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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Email: enquiry@dycnchem.com

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