Home Other Building Blocks Alisol B 23-acetate

Alisol B 23-acetate

CAS No.:
26575-95-1
Catalog Number:
AG002TR8
Molecular Formula:
C32H50O5
Molecular Weight:
514.7364
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$175
- +
50mg
99%
1 week
United States
$487
- +
Product Description
Catalog Number:
AG002TR8
Chemical Name:
Alisol B 23-acetate
CAS Number:
26575-95-1
Molecular Formula:
C32H50O5
Molecular Weight:
514.7364
MDL Number:
MFCD00867379
IUPAC Name:
[(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate
InChI:
InChI=1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1
InChI Key:
NLOAQXKIIGTTRE-JSWHPQHOSA-N
SMILES:
CC(=O)O[C@H]([C@H]1OC1(C)C)C[C@H](C1=C2C[C@H](O)[C@@H]3[C@]([C@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C
Properties
Complexity:
1020  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
514.366g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
514.747g/mol
Monoisotopic Mass:
514.366g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Literature
Title Journal
Role of RAS/Wnt/β-catenin axis activation in the pathogenesis of podocyte injury and tubulo-interstitial nephropathy. Chemico-biological interactions 20170801
Alisol B 23-acetate protects against non-alcoholic steatohepatitis in mice via farnesoid X receptor activation. Acta pharmacologica Sinica 20170101
Alisol B 23-acetate protects against ANIT-induced hepatotoxity and cholestasis, due to FXR-mediated regulation of transporters and enzymes involved in bile acid homeostasis. Toxicology and applied pharmacology 20150315
The rhizomes of Alisma orientale and alisol derivatives inhibit allergic response and experimental atopic dermatitis. Biological & pharmaceutical bulletin 20120101
Effects of protostane-type triterpenoids on the 5-HT3A receptor-mediated ion current in Xenopus oocytes. Brain research 20100517
[Chemical constituents of Alisma orientalis and their immunosuppressive function]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20090401
Effects of methanol extract of Alisma orientale rhizome and its major component, alisol B 23-acetate, on hepatic drug metabolizing enzymes in rats treated with bromobenzene. Archives of pharmacal research 20071201
A new triterpene and anti-hepatitis B virus active compounds from Alisma orientalis. Planta medica 20060801
Properties