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25062-29-7 | Furo[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one, 5-ethoxydecahydro-7-hydroxy-4a,9-dimethyl-3-methylene-, (3aR,4aS,5R,7R,8aS,9R,10aR)-
CAS No: 25062-29-7 Catalog No: AG002QBJ MDL No:
Product Description
Catalog Number:
AG002QBJ
Chemical Name:
Furo[2',3':5,6]cyclohepta[1,2-c]pyran-2(3H)-one, 5-ethoxydecahydro-7-hydroxy-4a,9-dimethyl-3-methylene-, (3aR,4aS,5R,7R,8aS,9R,10aR)-
CAS Number:
25062-29-7
Molecular Formula:
C17H26O5
Molecular Weight:
310.3853
IUPAC Name:
(1S,3R,7R,9R,10S,12R,14R)-14-ethoxy-12-hydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecan-5-one
InChI:
InChI=1S/C17H26O5/c1-5-20-16-17(4)8-11-10(3)15(19)21-13(11)6-9(2)12(17)7-14(18)22-16/h9,11-14,16,18H,3,5-8H2,1-2,4H3/t9-,11-,12+,13-,14-,16-,17+/m1/s1
InChI Key:
UIFSGDQXHQSWGC-WZGUIHEFSA-N
SMILES:
CCO[C@@H]1O[C@@H](O)C[C@@H]2[C@]1(C)C[C@H]1[C@@H](C[C@H]2C)OC(=O)C1=C
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
310.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.39g/mol
Monoisotopic Mass:
310.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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