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Aescine | CAS Number: 6805-41-0

Catalog Number
ACM6805410
Product Name
Aescine
Structure
CAS Number
6805-41-0
EC Number
229-880-6
IUPAC Name
6-[[(4S,6aR,6bS,8aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-
Synonyms
AESCINE, 6805-41-0
Molecular Weight
1131.26
Exact Mass
2261.10000
Molecular Formula
C55H86O24
Boiling Point
1140.6ºC at 760 mmHg
Flash Point
311.8ºC
Density
1.46 g/cm3
Purity
Purity >95%
Appearance
white powder
SMILES
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C
InChIKey
AXNVHPCVMSNXNP-VJLKZOTMSA-N
H-Bond Donor
13
H-Bond Acceptor
24
Safty Description
22-24/25
Hazard Statements
Xn: Harmful;
WGK Germany
2
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Email:
Tel:1-201-478-8534
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Fax: 1-516-927-0118
Address: Suite 212, Waverly Plaza, 755 Waverly Avenue, Holtsville, NY 11742, USA