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Home > Other Heterocycles > 137366-13-3
137366-13-3 | Spiro[cyclohexane-1,17'-estrane] (9CI)
CAS No: 137366-13-3 Catalog No: AG00136G MDL No:
Product Description
Catalog Number:
AG00136G
Chemical Name:
Spiro[cyclohexane-1,17'-estrane] (9CI)
CAS Number:
137366-13-3
Molecular Formula:
C23H38
Molecular Weight:
314.5478
IUPAC Name:
(8R,9R,10S,13R,14S)-13-methylspiro[2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-17,1'-cyclohexane]
InChI:
InChI=1S/C23H38/c1-22-15-11-19-18-8-4-3-7-17(18)9-10-20(19)21(22)12-16-23(22)13-5-2-6-14-23/h17-21H,2-16H2,1H3/t17?,18-,19+,20+,21-,22+/m0/s1
InChI Key:
DCXMTOOXQVSNLY-FWLXEDKYSA-N
SMILES:
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC12CCCCC1)CCC1[C@@H]3CCCC1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
314.297g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.557g/mol
Monoisotopic Mass:
314.297g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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