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Substance Name: Camelliin B
RN: 126347-60-2
InChIKey: WASNQMYMYFXZHF-UHFFFAOYSA-N

Molecular Formula

  • C75-H52-O48

Molecular Weight

  • 1721.19
 
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Names and Synonyms

Name of Substance

  • Camelliin B

Synonym

  • Camelliin B

Systematic Name

  • D-Glucose, cyclic 4-2':6-2-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 3-(3,4,5-trihydroxybenzoate), cyclic diester with beta-D-glucopyranose cyclic 4-2:6-2'-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2,3-bis(3,4,5-trihydroxybenzoate), (2(S),4(S))-

Registry Numbers

CAS Registry Number

  • 126347-60-2

System Generated Number

  • 0126347602

Structure Descriptors

InChI

1S/C75H52O48/c76-13-38-62(119-66(103)16-1-25(77)44(88)26(78)2-16)61-35(87)14-112-70(107)21-11-36(51(95)55(99)42(21)41-20(71(108)118-61)8-32(84)48(92)54(41)98)114-60-24(10-34(86)50(94)58(60)102)74(111)123-75-65(122-68(105)18-5-29(81)46(90)30(82)6-18)64(121-67(104)17-3-27(79)45(89)28(80)4-17)63-39(117-75)15-113-69(106)19-7-31(83)47(91)53(97)40(19)43-22(72(109)120-63)12-37(52(96)56(43)100)115-59-23(73(110)116-38)9-33(85)49(93)57(59)101/h1-13,35,38-39,61-65,75,77-102H,14-15H2

InChIKey

WASNQMYMYFXZHF-UHFFFAOYSA-N

Smiles

c1(O)cc(cc(O)c1O)C(=O)O[C@@H]1[C@@H]2OC(c3c4c5c(C(OC[C@@H]2O[C@@H]([C@@H]1OC(c1cc(O)c(O)c(c1)O)=O)OC(c1cc(c(c(c1Oc1c(O)c(O)c2c6c(O)c(O)c(O)cc6C(=O)O[C@@H]([C@@H]([C@@H](OC(c6c(Oc(c3)c(c4O)O)c(c(c(c6)O)O)O)=O)C=O)OC(c3cc(c(c(O)c3)O)O)=O)[C@@H](O)COC(=O)c2c1)O)O)O)=O)=O)cc(c(c5O)O)O)=O