Identification Common Name Camelliin B Class Small Molecule Description Not Available Contaminant Sources Contaminant Type Not Available Chemical Structure Synonyms Value Source (11S,14S,15S,37R,38S,39R,40S,41S,64R)-4,5,6,12,20,21,22,30,31,32,47,48,49,52,53,59,60-Heptadecahydroxy-9,17,35,44,56,61-hexaoxo-38,39-bis(3,4,5-trihydroxybenzoyloxy)-2,10,13,16,28,36,43,57,58,62-decaoxaundecacyclo[38.13.4.3,.2,.1,.1,.0,.0,.0,.0,.0,]tetrahexaconta-1(53),3,5,7,18,20,22,24(60),25,27(59),29,31,33,45,47,49,51,54-octadecaen-64-yl 3,4,5-trihydroxybenzoic acid Generator (11S,14S,15S,37R,38S,39R,40S,41S,64R)-4,5,6,12,20,21,22,30,31,32,47,48,49,52,53,59,60-Heptadecahydroxy-9,17,35,44,56,61-hexaoxo-38,39-bis(3,4,5-trihydroxybenzoyloxy)-2,10,13,16,28,36,43,57,58,62-decaoxaundecacyclo[38.13.4.3¹⁴,²⁵.2²⁴,²⁷.1¹¹,¹⁵.1³⁷,⁴¹.0³,⁸.0¹⁸,²³.0²⁹,³⁴.0⁴⁵,⁵⁰.0⁵¹,⁵⁵]tetrahexaconta-1(53),3,5,7,18,20,22,24(60),25,27(59),29,31,33,45,47,49,51,54-octadecaen-64-yl 3,4,5-trihydroxybenzoic acid Generator
Chemical Formula C75 H52 O48 Average Molecular Mass 1721.193 g/mol Monoisotopic Mass 1720.163 g/mol CAS Registry Number 126347-60-2 IUPAC Name (11S,14S,15S,37R,38S,39R,40S,41S,64R)-4,5,6,12,20,21,22,30,31,32,47,48,49,52,53,59,60-heptadecahydroxy-9,17,35,44,56,61-hexaoxo-38,39-bis(3,4,5-trihydroxybenzoyloxy)-2,10,13,16,28,36,43,57,58,62-decaoxaundecacyclo[38.13.4.3¹⁴,²⁵.2²⁴,²⁷.1¹¹,¹⁵.1³⁷,⁴¹.0³,⁸.0¹⁸,²³.0²⁹,³⁴.0⁴⁵,⁵⁰.0⁵¹,⁵⁵]tetrahexaconta-1(53),3,5,7,18,20,22,24(60),25,27(59),29,31,33,45,47,49,51,54-octadecaen-64-yl 3,4,5-trihydroxybenzoate Traditional Name (11S,14S,15S,37R,38S,39R,40S,41S,64R)-4,5,6,12,20,21,22,30,31,32,47,48,49,52,53,59,60-heptadecahydroxy-9,17,35,44,56,61-hexaoxo-38,39-bis(3,4,5-trihydroxybenzoyloxy)-2,10,13,16,28,36,43,57,58,62-decaoxaundecacyclo[38.13.4.3¹⁴,²⁵.2²⁴,²⁷.1¹¹,¹⁵.1³⁷,⁴¹.0³,⁸.0¹⁸,²³.0²⁹,³⁴.0⁴⁵,⁵⁰.0⁵¹,⁵⁵]tetrahexaconta-1(53),3,5,7,18,20,22,24(60),25,27(59),29,31,33,45,47,49,51,54-octadecaen-64-yl 3,4,5-trihydroxybenzoate SMILES [H]C1(O)O[C@@]2([H])COC(=O)C3=CC4=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@]2([H])[C@@]([H])(OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@]1([H])OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=C(O)C(O)=C2C(=C1)C(=O)O[C@@]1([H])[C@]([H])(COC(=O)C3=CC(O)=C(O)C(O)=C23)O[C@]([H])(OC(=O)C2=CC(O)=C(O)C(O)=C2O4)[C@@]([H])(OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@]1([H])OC(=O)C1=CC(O)=C(O)C(O)=C1 InChI Identifier InChI=1S/C75H52O48/c76-24-1-15(2-25(77)42(24)86)65(101)119-61-59-36-13-111-69(105)20-11-34(49(93)53(97)40(20)39-19(70(106)117-59)8-31(83)46(90)52(39)96)113-58-23(10-33(85)48(92)56(58)100)73(109)123-75-64(122-67(103)17-5-28(80)44(88)29(81)6-17)62(120-66(102)16-3-26(78)43(87)27(79)4-16)60-37(116-75)14-112-68(104)18-7-30(82)45(89)51(95)38(18)41-21(71(107)118-60)12-35(50(94)54(41)98)114-57-22(9-32(84)47(91)55(57)99)72(108)121-63(61)74(110)115-36/h1-12,36-37,59-64,74-100,110H,13-14H2/t36-,37-,59-,60-,61+,62+,63-,64-,74?,75+/m0/s1 InChI Key JMJXWSOEKNACTH-ZSQGMYPFSA-N 
