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67375-53-5 | SPIRO[PREGNANE-3,2'-THIAZOLIDINE]
CAS No: 67375-53-5 Catalog No: AG006HRN MDL No:
Product Description
Catalog Number:
AG006HRN
Chemical Name:
SPIRO[PREGNANE-3,2'-THIAZOLIDINE]
CAS Number:
67375-53-5
Molecular Formula:
C23H39NS
Molecular Weight:
361.6275
IUPAC Name:
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-thiazolidine]
InChI:
InChI=1S/C23H39NS/c1-4-16-6-8-19-18-7-5-17-15-23(24-13-14-25-23)12-11-22(17,3)20(18)9-10-21(16,19)2/h16-20,24H,4-15H2,1-3H3/t16-,17?,18-,19-,20-,21+,22-,23?/m0/s1
InChI Key:
JNDOLYLQXVKHNA-GSGBCVARSA-N
SMILES:
CC[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CCC1(C2)NCCS1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
361.28g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.632g/mol
Monoisotopic Mass:
361.28g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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