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101849-78-9 | 2H-Cyclopenta[b]furan-2-one, hexahydro-4-[(1E,3S,5S)-5-methyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-nonen-1-yl]-5-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3aR,4R,5R,6aS)-
CAS No: 101849-78-9 Catalog No: AG0005PL MDL No:MFCD23115482
Product Description
Catalog Number:
AG0005PL
Chemical Name:
2H-Cyclopenta[b]furan-2-one, hexahydro-4-[(1E,3S,5S)-5-methyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-nonen-1-yl]-5-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3aR,4R,5R,6aS)-
CAS Number:
101849-78-9
Molecular Formula:
C27H44O6
Molecular Weight:
464.6347
MDL Number:
MFCD23115482
IUPAC Name:
(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-hexahydrocyclopenta[b]furan-2-one
InChI:
InChI=1S/C27H44O6/c1-3-4-9-19(2)16-20(31-26-10-5-7-14-29-26)12-13-21-22-17-25(28)32-24(22)18-23(21)33-27-11-6-8-15-30-27/h12-13,19-24,26-27H,3-11,14-18H2,1-2H3/b13-12+/t19-,20+,21+,22+,23+,24-,26?,27?/m0/s1
InChI Key:
SPXMZDMVHVZZPR-MMEIQNLQSA-N
SMILES:
CCCC[C@@H](C[C@H](OC1CCCCO1)/C=C/[C@H]1[C@H](OC2CCCCO2)C[C@H]2[C@@H]1CC(=O)O2)C
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
1
Exact Mass:
464.314g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.643g/mol
Monoisotopic Mass:
464.314g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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