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Home > Other Heterocycles > 30552-22-8
30552-22-8 | Spiro[androstene-2,1'-cyclopropane] (8CI,9CI)
CAS No: 30552-22-8 Catalog No: AG0030IX MDL No:
Product Description
Catalog Number:
AG0030IX
Chemical Name:
Spiro[androstene-2,1'-cyclopropane] (8CI,9CI)
CAS Number:
30552-22-8
Molecular Formula:
C21H32
Molecular Weight:
284.4788
IUPAC Name:
(8R,9S,10S,13R,14S)-10,13-dimethylspiro[1,3,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthrene-2,1'-cyclopropane]
InChI:
InChI=1S/C21H32/c1-19-9-3-4-17(19)16-6-5-15-7-11-21(12-13-21)14-20(15,2)18(16)8-10-19/h3,9,15-18H,4-8,10-14H2,1-2H3/t15?,16-,17-,18-,19-,20-/m0/s1
InChI Key:
CWZLDHNOWKDQHA-BJJJHMPVSA-N
SMILES:
C[C@]12C=CC[C@H]2[C@H]2[C@H](CC1)[C@@]1(C)CC3(CCC1CC2)CC3
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
284.25g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.487g/mol
Monoisotopic Mass:
284.25g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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