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101046-79-1 | Spiro[benzofuran-3(2H),9'(8'H)-[2H]furo[2,3-h][1]benzopyran]-8'-one, 3',4'-dihydro-3',4,5',6-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2R,2'R,3R,3'R)-
CAS No: 101046-79-1 Catalog No: AG0003MW MDL No:
Product Description
Catalog Number:
AG0003MW
Chemical Name:
Spiro[benzofuran-3(2H),9'(8'H)-[2H]furo[2,3-h][1]benzopyran]-8'-one, 3',4'-dihydro-3',4,5',6-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2R,2'R,3R,3'R)-
CAS Number:
101046-79-1
Molecular Formula:
C30H22O10
Molecular Weight:
542.4897
IUPAC Name:
(2R,2'R,3R,3'R)-3',4,5',6-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)spiro[2H-1-benzofuran-3,9'-3,4-dihydro-2H-furo[2,3-h]chromene]-8'-one
InChI:
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26-,28-,30-/m1/s1
InChI Key:
RNDNBGULZNCSNB-LYFQOWASSA-N
SMILES:
Oc1ccc(cc1)[C@H]1Oc2c(C[C@H]1O)c(O)cc1c2[C@@]2(C(=O)O1)[C@H](Oc1c2c(O)cc(c1)O)c1ccc(cc1)O
Properties
Complexity:
947
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
542.121g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
542.496g/mol
Monoisotopic Mass:
542.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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