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Home > Other Heterocycles > 37770-14-2
37770-14-2 | 10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dithiolan]-17-ol
CAS No: 37770-14-2 Catalog No: AG0077XM MDL No:
Product Description
Catalog Number:
AG0077XM
Chemical Name:
10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dithiolan]-17-ol
CAS Number:
37770-14-2
Molecular Formula:
C21H34OS2
Molecular Weight:
366.6241
IUPAC Name:
10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dithiolane]-17-ol
InChI:
InChI=1S/C21H34OS2/c1-19-9-10-21(23-11-12-24-21)13-14(19)3-4-15-16-5-6-18(22)20(16,2)8-7-17(15)19/h14-18,22H,3-13H2,1-2H3
InChI Key:
AZGUMZVYIIAYNT-UHFFFAOYSA-N
SMILES:
OC1CCC2C1(C)CCC1C2CCC2C1(C)CCC1(C2)SCCS1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.205g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.622g/mol
Monoisotopic Mass:
366.205g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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