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113973-98-1 | 1H,10H-Furo[3',4':4a,5]naphtho[2,1-c]pyran-1,8(4bH)-dione, 3-(3-furanyl)-3,4,4a,11,12,12a-hexahydro-4a-methyl-, (3R,4aR,4bS,10aS,12aS)-
CAS No: 113973-98-1 Catalog No: AG000A87 MDL No:
Product Description
Catalog Number:
AG000A87
Chemical Name:
1H,10H-Furo[3',4':4a,5]naphtho[2,1-c]pyran-1,8(4bH)-dione, 3-(3-furanyl)-3,4,4a,11,12,12a-hexahydro-4a-methyl-, (3R,4aR,4bS,10aS,12aS)-
CAS Number:
113973-98-1
Molecular Formula:
C20H20O5
Molecular Weight:
340.3698
IUPAC Name:
(4S,7R,9R,10S)-7-(furan-3-yl)-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadeca-11,13-diene-5,15-dione
InChI:
InChI=1S/C20H20O5/c1-19-9-15(12-6-8-23-10-12)25-18(22)13(19)5-7-20-11-24-17(21)14(20)3-2-4-16(19)20/h2-4,6,8,10,13,15-16H,5,7,9,11H2,1H3/t13-,15-,16+,19+,20?/m1/s1
InChI Key:
CREOMRQYELECKQ-QHDAWAPNSA-N
SMILES:
O=C1O[C@H](C[C@]2([C@@H]1CC[C@@]13[C@H]2C=CC=C3C(=O)OC1)C)c1cocc1
Properties
Complexity:
694
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
340.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.375g/mol
Monoisotopic Mass:
340.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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