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141069-96-7 | Cholestan-24-ol, 3,6-bis(methoxymethoxy)-, (3α,5β,6α,24S)- (9CI)
CAS No: 141069-96-7 Catalog No: AG001FTZ MDL No:
Product Description
Catalog Number:
AG001FTZ
Chemical Name:
Cholestan-24-ol, 3,6-bis(methoxymethoxy)-, (3α,5β,6α,24S)- (9CI)
CAS Number:
141069-96-7
Molecular Formula:
C31H56O5
Molecular Weight:
508.7733
IUPAC Name:
(3S,6R)-6-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-bis(methoxymethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-ol
InChI:
InChI=1S/C31H56O5/c1-20(2)28(32)11-8-21(3)24-9-10-25-23-17-29(36-19-34-7)27-16-22(35-18-33-6)12-14-31(27,5)26(23)13-15-30(24,25)4/h20-29,32H,8-19H2,1-7H3/t21-,22-,23+,24-,25+,26+,27+,28+,29+,30-,31-/m1/s1
InChI Key:
FCXNVSABTSPESJ-IGLFYSFJSA-N
SMILES:
COCO[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](OCOC)CC2)C)[C@@H](CC[C@@H](C(C)C)O)C
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
0
Exact Mass:
508.413g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
508.784g/mol
Monoisotopic Mass:
508.413g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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