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Substance Name: Hirtellin A
RN: 140187-43-5
InChIKey: SIJLXAXQJVALLA-YLVKXZTISA-N

Molecular Formula

  • C82-H58-O52

Molecular Weight

  • 1875.3082
 
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Names and Synonyms

Synonym

  • Hirtellin A

Systematic Name

  • Hirtellin A

Registry Numbers

CAS Registry Number

  • 140187-43-5

System Generated Number

  • 0140187435

Structure Descriptors

InChI

1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(16-122-76(117)23-11-37(92)54(102)59(107)45(23)47-25(78(119)127-65)13-39(94)56(104)61(47)109)125-81(69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)134-75(116)22-9-36(91)53(101)42(10-22)124-64-27(15-41(96)58(106)63(64)111)80(121)132-70-68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82(70)133-74(115)21-7-34(89)52(100)35(90)8-21)17-123-77(118)24-12-38(93)55(103)60(108)46(24)48-26(79(120)128-66)14-40(95)57(105)62(48)110/h1-15,43-44,65-70,81-111H,16-17H2/t43-,44-,65-,66-,67+,68+,69-,70-,81+,82+/m1/s1

InChIKey

SIJLXAXQJVALLA-YLVKXZTISA-N

Smiles

c1c(cc(c(c1O)O)O)C(=O)O[C@H]2[C@H]3[C@@H](COC(=O)c4cc(c(c(c4-c5c(cc(c(c5O)O)O)C(=O)O3)O)O)O)O[C@H]([C@@H]2OC(=O)c6cc(c(c(c6)O)O)O)OC(=O)c7cc(c(c(c7)Oc8c(cc(c(c8O)O)O)C(=O)O[C@@H]9[C@H]([C@H]1[C@@H](COC(=O)c2cc(c(c(c2-c2c(cc(c(c2O)O)O)C(=O)O1)O)O)O)O[C@H]9OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O