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Daucosterol

CAS No.:
474-58-8
Catalog Number:
AG0038PW
Molecular Formula:
C35H60O6
Molecular Weight:
576.8473
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
80%
1 week
United States
$173
- +
10mg
80%
1 week
United States
$240
- +
25mg
80%
1 week
United States
$423
- +
Product Description
Catalog Number:
AG0038PW
Chemical Name:
Daucosterol
CAS Number:
474-58-8
Molecular Formula:
C35H60O6
Molecular Weight:
576.8473
MDL Number:
MFCD01683621
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
InChI Key:
NPJICTMALKLTFW-OFUAXYCQSA-N
SMILES:
CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C
UNII:
U45VN859W3
Properties
Complexity:
920  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
14  
Defined Bond Stereocenter Count:
0
Exact Mass:
576.439g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
576.859g/mol
Monoisotopic Mass:
576.439g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7  
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