Home Other Building Blocks 3,29-Dibenzoyl rarounitriol

3,29-Dibenzoyl rarounitriol

CAS No.:
873001-54-8
Catalog Number:
AG00GUSL
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00GUSL
Chemical Name:
3,29-Dibenzoyl rarounitriol
CAS Number:
873001-54-8
MDL Number:
MFCD12032051
IUPAC Name:
[(2R,4aS,6aS,7S,8aR,10R,12aS,14aS,14bR)-10-benzoyloxy-7-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicen-2-yl]methyl benzoate
InChI:
InChI=1S/C44H58O5/c1-39(2)33-26-32(45)36-31(42(33,5)20-19-35(39)49-38(47)30-16-12-9-13-17-30)18-21-43(6)34-27-40(3,22-23-41(34,4)24-25-44(36,43)7)28-48-37(46)29-14-10-8-11-15-29/h8-17,32-35,45H,18-28H2,1-7H3/t32-,33-,34+,35+,40+,41+,42+,43-,44+/m0/s1
InChI Key:
ZRKGVMOZKMBTHF-DUVCPVCPSA-N
Properties
Complexity:
1320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
666.428g/mol
Formal Charge:
0
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
666.943g/mol
Monoisotopic Mass:
666.428g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4  
Properties