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2634-49-3 | Cholest-5-ene, 4,4-dimethyl- (7CI,8CI,9CI)
CAS No: 2634-49-3 Catalog No: AG002STG MDL No:
Product Description
Catalog Number:
AG002STG
Chemical Name:
Cholest-5-ene, 4,4-dimethyl- (7CI,8CI,9CI)
CAS Number:
2634-49-3
Molecular Formula:
C29H50
Molecular Weight:
398.7073
IUPAC Name:
(8S,9S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
InChI:
InChI=1S/C29H50/c1-20(2)10-8-11-21(3)23-13-14-24-22-12-15-26-27(4,5)17-9-18-29(26,7)25(22)16-19-28(23,24)6/h15,20-25H,8-14,16-19H2,1-7H3/t21-,22+,23-,24+,25+,28-,29-/m1/s1
InChI Key:
DGEGTBPATABELC-CMKWDTBOSA-N
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCCC2(C)C)C)C
NSC Number:
76474
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
398.391g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.719g/mol
Monoisotopic Mass:
398.391g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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