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Home > Other Heterocycles > 126724-98-9
126724-98-9 | Spiro[furan-3(2H),7'(8'H)-[1H]naphtho[1,8a-c]furan]-3',9'(6'aH,10'H)-dione, 2-(acetyloxy)-5-(3-furanyl)-4,5-dihydro-8'-methyl-, (2R,3S,5S,6'aR,8'S,10'aS)- (9CI)
CAS No: 126724-98-9 Catalog No: AG000T5Y MDL No:
Product Description
Catalog Number:
AG000T5Y
Chemical Name:
Spiro[furan-3(2H),7'(8'H)-[1H]naphtho[1,8a-c]furan]-3',9'(6'aH,10'H)-dione, 2-(acetyloxy)-5-(3-furanyl)-4,5-dihydro-8'-methyl-, (2R,3S,5S,6'aR,8'S,10'aS)- (9CI)
CAS Number:
126724-98-9
Molecular Formula:
C22H22O7
Molecular Weight:
398.4059
IUPAC Name:
[5'-(furan-3-yl)-8-methyl-3,9-dioxospiro[1,6a,8,10-tetrahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2'-yl] acetate
InChI:
InChI=1S/C22H22O7/c1-12-16(24)8-21-11-27-19(25)15(21)4-3-5-18(21)22(12)9-17(14-6-7-26-10-14)29-20(22)28-13(2)23/h3-7,10,12,17-18,20H,8-9,11H2,1-2H3
InChI Key:
AVKKLSULAQTUAJ-UHFFFAOYSA-N
SMILES:
CC(=O)OC1OC(CC21C(C)C(=O)CC13C2C=CC=C3C(=O)OC1)c1cocc1
Properties
Complexity:
829
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.137g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.411g/mol
Monoisotopic Mass:
398.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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