Pinnatifinoside B

[(2'R,3'S,4'S,8R)-3',4',5-trihydroxy-2-(4-hydroxyphenyl)-4-oxospiro[9H-furo[2,3-h]chromene-8,5'-oxolane]-2'-yl]methyl acetate

Also Known As: Pinnatifinoside B|J1.619.730K|[(2'R,3'S,4'S,8R)-3',4',5-trihydroxy-2-(4-hydroxyphenyl)-4-oxospiro[9H-furo[2,3-h]chromene-8,5'-oxolane]-2'-yl]methyl acetate|[(2R,3S,4S,5R)-3,4,5'-trihydroxy-2'-(4-hydroxyphenyl)-4'-oxo-4,5-dihydro-3H,4'H,9'H-spiro[furan-2,8'-furo[2,3-h]chromen]-5-yl]methyl rel-acetate|spiro[furan-2(3H),8'(9'H)-[4H]furo[2,3-h][1]benzopyran]-4'-one, 5-[(acetyloxy)methyl]-4,5-dihydro-3,4,5'-trihydroxy-2'-(4-hydroxyphenyl)-, (2R,3S,4S,5R)-|((2'R,3'S,4'S,8R)-3',4',5-trihydroxy-2-(4-hydroxyphenyl)-4-oxospiro(9H-furo(2,3-h)chromene-8,5'-oxolane)-2'-yl)methyl acetate|((2R,3S,4S,5R)-3,4,5'-trihydroxy-2'-(4-hydroxyphenyl)-4'-oxo-4,5-dihydro-3H,4'H,9'H-spiro(furan-2,8'-furo(2,3-h)chromen)-5-yl)methyl rel-acetate|(8R)-2-(4-Hydroxyphenyl)-3 beta,4 alpha,5-trihydroxy-5 beta-(acetoxymethyl)-4 ,5 -dihydro-spiro[4H-furo[2,3-h][1]benzopyran-8(9H),2 (3 H)-furan]-4-one|[(3'S,4'S,5'R,8R)-3',4',5-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4,9-dihydrospiro[furo[2,3-h]chromene-8,2'-oxolan]-5'-yl]methyl acetate|spiro(furan-2(3H),8'(9'H)-(4H)furo(2,3-h)(1)benzopyran)-4'-one, 5-((acetyloxy)methyl)-4,5-dihydro-3,4,5'-trihydroxy-2'-(4-hydroxyphenyl)-, (2R,3S,4S,5R)-

Molecular Formula	C23H20O10
Molecular Weight	456.10565 g/mol
LogP	1.4
Topological Polar Surface Area	152.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	456.10565
Monoisotopic Mass	456.10565
Heavy Atoms	33
Complexity	820.0

Chemical Identifiers

CAS Number	366472-75-5
SMILES	CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@]2(O1)CC3=C(O2)C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O
InChIKey	JPQIZNMBTLLOPM-SQMBMXPBSA-N