Home Other Building Blocks Urs-12-ene-3,28-diol, (3b)-

Urs-12-ene-3,28-diol, (3b)-

CAS No.:
545-46-0
Catalog Number:
AG01CCPD
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01CCPD
Chemical Name:
Urs-12-ene-3,28-diol, (3b)-
CAS Number:
545-46-0
MDL Number:
MFCD00009620
IUPAC Name:
(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
InChI:
InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
InChI Key:
XUARCIYIVXVTAE-ZAPOICBTSA-N
EC Number:
208-888-3
UNII:
W599R31ROT
Properties
Complexity:
799  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
442.381g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
442.728g/mol
Monoisotopic Mass:
442.381g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4  
Literature
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Properties