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151200-50-9 | 2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)-6-(β-D-glucopyranosyloxy)-1,4,6,6a,9,10,10a,10b-octahydro-6a,10b-dimethyl-4-oxo-, methyl ester, rel-(2R,6R,6aS,10aR,10bR)-(+)-
CAS No: 151200-50-9 Catalog No: AG001N5S MDL No:
Product Description
Catalog Number:
AG001N5S
Chemical Name:
2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)-6-(β-D-glucopyranosyloxy)-1,4,6,6a,9,10,10a,10b-octahydro-6a,10b-dimethyl-4-oxo-, methyl ester, rel-(2R,6R,6aS,10aR,10bR)-(+)-
CAS Number:
151200-50-9
Molecular Formula:
C27H34O11
Molecular Weight:
534.5523
IUPAC Name:
methyl 2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,9,10,10a-hexahydrobenzo[f]isochromene-7-carboxylate
InChI:
InChI=1S/C27H34O11/c1-26-10-16(13-7-8-35-12-13)36-24(33)15(26)9-19(27(2)14(23(32)34-3)5-4-6-18(26)27)38-25-22(31)21(30)20(29)17(11-28)37-25/h5,7-9,12,16-22,25,28-31H,4,6,10-11H2,1-3H3
InChI Key:
UQBSOXXWYBLSSJ-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@@H](O[C@@H]2C=C3C(=O)O[C@H](C[C@@]3([C@@H]3[C@@]2(C)C(=CCC3)C(=O)OC)C)c2cocc2)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.21g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
534.558g/mol
Monoisotopic Mass:
534.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
10
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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