Home Other Building Blocks 5-CHOLESTEN-3-BETA, 7-ALPHA-DIOL

5-CHOLESTEN-3-BETA, 7-ALPHA-DIOL

CAS No.:
566-26-7
Catalog Number:
AG00EETV
Molecular Formula:
C27H46O2
Molecular Weight:
402.6529
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Purity
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Product Description
Catalog Number:
AG00EETV
Chemical Name:
5-CHOLESTEN-3-BETA, 7-ALPHA-DIOL
CAS Number:
566-26-7
Molecular Formula:
C27H46O2
Molecular Weight:
402.6529
MDL Number:
MFCD00201416
IUPAC Name:
(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
InChI:
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChI Key:
OYXZMSRRJOYLLO-RVOWOUOISA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C(O)C=C2[C@]1(C)CC[C@@H](C2)O)C)C
UNII:
95D0I22I0V
Properties
Complexity:
624  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
402.35g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
402.663g/mol
Monoisotopic Mass:
402.35g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4  
Literature
Title Journal
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