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7247-99-6 | (1as,3ar,3bs,5as,6r,8as,8br,10r,10ar)-10-hydroxy-3a,5a-dimethyl-1a,2,3,3a,3b,4,5,5a,7,8,8a,8b,9,10-tetradecahydro-1h,5'h-spiro[cyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalene-6,2'-furan]-5'-one
CAS No: 7247-99-6 Catalog No: AG005T9X MDL No:
Product Description
Catalog Number:
AG005T9X
Chemical Name:
(1as,3ar,3bs,5as,6r,8as,8br,10r,10ar)-10-hydroxy-3a,5a-dimethyl-1a,2,3,3a,3b,4,5,5a,7,8,8a,8b,9,10-tetradecahydro-1h,5'h-spiro[cyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalene-6,2'-furan]-5'-one
CAS Number:
7247-99-6
Molecular Formula:
C22H30O3
Molecular Weight:
342.4718
IUPAC Name:
(1'S,2'R,5R,5'S,7'R,8'R,10'R,11'S,15'S)-8'-hydroxy-2',15'-dimethylspiro[furan-5,14'-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane]-2-one
InChI:
InChI=1S/C22H30O3/c1-19-8-4-16-14(15(19)5-9-21(19)10-6-18(24)25-21)11-17(23)22-12-13(22)3-7-20(16,22)2/h6,10,13-17,23H,3-5,7-9,11-12H2,1-2H3/t13-,14-,15-,16-,17+,19-,20+,21+,22-/m0/s1
InChI Key:
OUBYDRMNFCCAQT-SMGBYZLYSA-N
SMILES:
O=C1C=C[C@]2(O1)CC[C@@H]1[C@]2(C)CC[C@H]2[C@H]1C[C@H]([C@]13[C@]2(C)CC[C@H]3C1)O
NSC Number:
63298
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
342.219g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.479g/mol
Monoisotopic Mass:
342.219g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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