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1309920-99-7 | 1H-Naphtho[1,8a-c]furan-3(5H)-one, 7-[2-(2,5-dihydro-5-methoxy-2-oxo-3-furanyl)ethyl]-6,6a,7,8,9,10-hexahydro-7,8-dimethyl-, (6aR,7S,8R,10aS)-rel-(-)-
CAS No: 1309920-99-7 Catalog No: AG000V88 MDL No:
Product Description
Catalog Number:
AG000V88
Chemical Name:
1H-Naphtho[1,8a-c]furan-3(5H)-one, 7-[2-(2,5-dihydro-5-methoxy-2-oxo-3-furanyl)ethyl]-6,6a,7,8,9,10-hexahydro-7,8-dimethyl-, (6aR,7S,8R,10aS)-rel-(-)-
CAS Number:
1309920-99-7
Molecular Formula:
C21H28O5
Molecular Weight:
360.4440
IUPAC Name:
(6aR,7S,8R,10aS)-7-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
InChI:
InChI=1S/C21H28O5/c1-13-7-10-21-12-25-19(23)15(21)5-4-6-16(21)20(13,2)9-8-14-11-17(24-3)26-18(14)22/h5,11,13,16-17H,4,6-10,12H2,1-3H3/t13-,16-,17?,20+,21-/m1/s1
InChI Key:
CWRSOQZLIYAURI-QHZMMHQPSA-N
SMILES:
COC1C=C(C(=O)O1)CC[C@@]1(C)[C@H](C)CC[C@@]23[C@@H]1CCC=C3C(=O)OC2
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
360.194g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.45g/mol
Monoisotopic Mass:
360.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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