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Home > Other Heterocycles > 137396-61-3
137396-61-3 | Spiro[androstane-16,1'-cyclobutane] (9CI)
CAS No: 137396-61-3 Catalog No: AG00138T MDL No:
Product Description
Catalog Number:
AG00138T
Chemical Name:
Spiro[androstane-16,1'-cyclobutane] (9CI)
CAS Number:
137396-61-3
Molecular Formula:
C22H36
Molecular Weight:
300.5212
IUPAC Name:
(8S,9S,10S,13R,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthrene-16,1'-cyclobutane]
InChI:
InChI=1S/C22H36/c1-20-13-9-18-17(19(20)14-22(15-20)11-5-12-22)8-7-16-6-3-4-10-21(16,18)2/h16-19H,3-15H2,1-2H3/t16?,17-,18+,19+,20-,21+/m1/s1
InChI Key:
WRTFSFUHXFUEMH-DHSGYYQHSA-N
SMILES:
C[C@]12CCCCC1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC1(C2)CCC1)C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
300.282g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.53g/mol
Monoisotopic Mass:
300.282g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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