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mogroside IV

CAS No.:
89590-95-4
Catalog Number:
AG00GT7Q
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00GT7Q
Chemical Name:
mogroside IV
CAS Number:
89590-95-4
MDL Number:
MFCD21363976
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8R,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C54H92O24/c1-22(9-13-33(51(4,5)70)77-49-45(41(66)36(61)28(20-57)74-49)78-48-44(69)39(64)35(60)27(19-56)73-48)23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)40(65)37(62)29(75-47)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23-,25-,26-,27-,28-,29-,30-,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,52+,53-,54+/m1/s1
InChI Key:
WRPAFPPCKSYACJ-KGFBLRRZSA-N
Properties
Complexity:
2030  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
30  
Defined Bond Stereocenter Count:
0
Exact Mass:
1124.598g/mol
Formal Charge:
0
Heavy Atom Count:
78  
Hydrogen Bond Acceptor Count:
24  
Hydrogen Bond Donor Count:
16  
Isotope Atom Count:
0
Molecular Weight:
1125.306g/mol
Monoisotopic Mass:
1124.598g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
398A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Literature
Title Journal
Sweet elements of Siraitia grosvenori inhibit oxidative modification of low-density lipoprotein. Journal of atherosclerosis and thrombosis 20020101
Properties