Home Other Building Blocks Raddeanin(Anemodeanin) A

Raddeanin(Anemodeanin) A

CAS No.:
89412-79-3
Catalog Number:
AG00GV70
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00GV70
Chemical Name:
Raddeanin(Anemodeanin) A
CAS Number:
89412-79-3
MDL Number:
MFCD10566637
IUPAC Name:
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChI:
InChI=1S/C47H76O16/c1-22-30(50)33(53)35(55)38(59-22)62-37-34(54)32(52)26(20-48)60-40(37)63-36-31(51)25(49)21-58-39(36)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1
InChI Key:
VQQGPFFHGWNIGX-PPCHTBMASA-N
Properties
Complexity:
1720  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
22  
Defined Bond Stereocenter Count:
0
Exact Mass:
896.513g/mol
Formal Charge:
0
Heavy Atom Count:
63  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
897.109g/mol
Monoisotopic Mass:
896.513g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
255A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Triterpenoid saponin, oleanolic acid 3-O-beta-d-glucopyranosyl(1-->3)-alpha-l-rhamnopyranosyl(1-->2)-alpha-l-arabinopyranoside (OA) from Aralia elata inhibits LPS-induced nitric oxide production by down-regulated NF-kappaB in raw 264.7 cells. Archives of biochemistry and biophysics 20071115
Properties