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70667-58-2 | 5-[(3aR,4R,5R,6aS)-5-(Tetrahydro-2H-pyran-2-yloxy)-4-[(1E,3S,5S)-5-methyl-3-(tetrahydro-2H-pyran-2-yloxy)-1-nonenyl]hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodovaleric acid methyl ester
CAS No: 70667-58-2 Catalog No: AG00FK6Q MDL No:
Product Description
Catalog Number:
AG00FK6Q
Chemical Name:
5-[(3aR,4R,5R,6aS)-5-(Tetrahydro-2H-pyran-2-yloxy)-4-[(1E,3S,5S)-5-methyl-3-(tetrahydro-2H-pyran-2-yloxy)-1-nonenyl]hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodovaleric acid methyl ester
CAS Number:
70667-58-2
IUPAC Name:
methyl 5-[(3aR,4R,5R,6aS)-4-[(E,3S,5S)-5-methyl-3-(oxan-2-yloxy)non-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
InChI:
InChI=1S/C33H55IO7/c1-4-5-11-23(2)20-24(39-32-14-6-8-18-37-32)16-17-25-26-21-30(27(34)12-10-13-31(35)36-3)40-29(26)22-28(25)41-33-15-7-9-19-38-33/h16-17,23-30,32-33H,4-15,18-22H2,1-3H3/b17-16+/t23-,24+,25+,26+,27?,28+,29-,30?,32?,33?/m0/s1
InChI Key:
JLMYULQECFLJOC-SZVTVZNNSA-N
Properties
Complexity:
794
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
1
Exact Mass:
690.299g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
690.7g/mol
Monoisotopic Mass:
690.299g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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