200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 121500-92-3
121500-92-3 | Cholestan-26-oic acid, 3,7,12,23-tetrahydroxy-, (3α,5β,7α,12α,23R)- (9CI)
CAS No: 121500-92-3 Catalog No: AG00153S MDL No:
Product Description
Catalog Number:
AG00153S
Chemical Name:
Cholestan-26-oic acid, 3,7,12,23-tetrahydroxy-, (3α,5β,7α,12α,23R)- (9CI)
CAS Number:
121500-92-3
Molecular Formula:
C27H46O6
Molecular Weight:
466.6505
IUPAC Name:
(6R)-4-hydroxy-2-methyl-6-[(8R,9S,10S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
InChI:
InChI=1S/C27H46O6/c1-14(9-18(29)10-15(2)25(32)33)19-5-6-20-24-21(13-23(31)27(19,20)4)26(3)8-7-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16?,17?,18?,19-,20+,21+,22?,23?,24+,26+,27-/m1/s1
InChI Key:
MWMOIWJQWNZGCC-FOWZETMTSA-N
SMILES:
O[C@H](C[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)O)C)CC(C(=O)O)C
Properties
Complexity:
727
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
466.329g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
466.659g/mol
Monoisotopic Mass:
466.329g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.