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steviolbioside

CAS No.:
41093-60-1
Catalog Number:
AG00C7EN
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C7EN
Chemical Name:
steviolbioside
CAS Number:
41093-60-1
MDL Number:
MFCD02752299
IUPAC Name:
(1R,4S,5R,9S,10R,13S)-13-[(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-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
InChI:
InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1
InChI Key:
OMHUCGDTACNQEX-OSHKXICASA-N
UNII:
07GV37SOFN
Properties
Complexity:
1150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
16  
Defined Bond Stereocenter Count:
0
Exact Mass:
642.325g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
642.739g/mol
Monoisotopic Mass:
642.325g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Structures of the novel α-glucosyl linked diterpene glycosides from Stevia rebaudiana. Carbohydrate research 20110927
[Synthesis and antituberculosis activity of the derivatives of glycoside steviolbioside from the plant Stevia rebaudiana and diterpenoid isosteviol containing hydrazone, hydrazide and pyridinoyl moieties]. Bioorganicheskaia khimiia 20110101
Validated high-performance thin-layer chromatography method for steviol glycosides in Stevia rebaudiana. Journal of pharmaceutical and biomedical analysis 20080805
Study on the stevioside analogues of steviolbioside, steviol, and isosteviol 19-alkyl amide dimers: synthesis and cytotoxic and antibacterial activity. Chemical & pharmaceutical bulletin 20040901
Properties