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136320-56-4 | Chol-8(14)-en-24-oic acid, 3-hydroxy-15-oxo-, (3β,5α)- (9CI)
CAS No: 136320-56-4 Catalog No: AG0011NB MDL No:
Product Description
Catalog Number:
AG0011NB
Chemical Name:
Chol-8(14)-en-24-oic acid, 3-hydroxy-15-oxo-, (3β,5α)- (9CI)
CAS Number:
136320-56-4
Molecular Formula:
C24H36O4
Molecular Weight:
388.5402
IUPAC Name:
(4R)-4-[(9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI:
InChI=1S/C24H36O4/c1-14(4-7-21(27)28)19-13-20(26)22-17-6-5-15-12-16(25)8-10-23(15,2)18(17)9-11-24(19,22)3/h14-16,18-19,25H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16?,18+,19-,23+,24-/m1/s1
InChI Key:
NNAVJINCKJAUPF-TYSIGZIMSA-N
SMILES:
O[C@H]1CC[C@]2([C@H](C1)CCC1=C3[C@@](CC[C@H]21)(C)[C@H](CC3=O)[C@@H](CCC(=O)O)C)C
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
388.261g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.548g/mol
Monoisotopic Mass:
388.261g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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