Identification Common Name Samarangenin B Class Small Molecule Description Not Available Contaminant Sources Contaminant Type Not Available Chemical Structure Synonyms Value Source (9S,10S,25S,33S)-3,5,15,16,20,21,22,29,31-Nonahydroxy-12-oxo-9-(3,4,5-trihydroxyphenyl)-8,11,18,26-tetraoxaheptacyclo[23.7.1.1,.1,.0,.0,.0,]pentatriaconta-2,4,6,13,15,17(34),19,21,23,27,29,31-dodecaen-33-yl 3,4,5-trihydroxybenzoic acid Generator (9S,10S,25S,33S)-3,5,15,16,20,21,22,29,31-Nonahydroxy-12-oxo-9-(3,4,5-trihydroxyphenyl)-8,11,18,26-tetraoxaheptacyclo[23.7.1.1⁶,¹⁰.1¹³,¹⁷.0²,⁷.0¹⁹,²⁴.0²⁷,³²]pentatriaconta-2,4,6,13,15,17(34),19,21,23,27,29,31-dodecaen-33-yl 3,4,5-trihydroxybenzoic acid Generator
Chemical Formula C44 H32 O22 Average Molecular Mass 912.718 g/mol Monoisotopic Mass 912.139 g/mol CAS Registry Number 147103-19-3 IUPAC Name (9S,10S,25S,33S)-3,5,15,16,20,21,22,29,31-nonahydroxy-12-oxo-9-(3,4,5-trihydroxyphenyl)-8,11,18,26-tetraoxaheptacyclo[23.7.1.1⁶,¹⁰.1¹³,¹⁷.0²,⁷.0¹⁹,²⁴.0²⁷,³²]pentatriaconta-2,4,6,13,15,17(34),19,21,23,27,29,31-dodecaen-33-yl 3,4,5-trihydroxybenzoate Traditional Name (9S,10S,25S,33S)-3,5,15,16,20,21,22,29,31-nonahydroxy-12-oxo-9-(3,4,5-trihydroxyphenyl)-8,11,18,26-tetraoxaheptacyclo[23.7.1.1⁶,¹⁰.1¹³,¹⁷.0²,⁷.0¹⁹,²⁴.0²⁷,³²]pentatriaconta-2,4,6,13,15,17(34),19,21,23,27,29,31-dodecaen-33-yl 3,4,5-trihydroxybenzoate SMILES [H][C@]12CC3=C(O[C@@]1([H])C1=CC(O)=C(O)C(O)=C1)C(=C(O)C=C3O)C1([H])C3=C(O)C=C(O)C=C3O[C@@]([H])(C3=CC(O)=C(O)C(O)=C3OC3=CC(=CC(O)=C3O)C(=O)O2)[C@@]1([H])OC(=O)C1=CC(O)=C(O)C(O)=C1 InChI Identifier InChI=1S/C44H32O22/c45-15-7-19(47)30-27(8-15)62-41-17-9-26(54)36(58)37(59)40(17)63-28-6-14(5-25(53)35(28)57)43(60)64-29-10-16-18(46)11-20(48)31(39(16)65-38(29)12-1-21(49)33(55)22(50)2-12)32(30)42(41)66-44(61)13-3-23(51)34(56)24(52)4-13/h1-9,11,29,32,38,41-42,45-59H,10H2/t29-,32?,38-,41-,42-/m0/s1 InChI Key OLBCNYLXXLYHAI-XYOIDCOGSA-N 
