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Substance Name: Grandinin
RN: 115166-32-0
InChIKey: GCEXRPOQEVIITL-XJDSPLDHSA-N

Molecular Weight

  • 1066.7446
 
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Names and Synonyms

  • Grandinin

Registry Numbers

CAS Registry Number

  • 115166-32-0

System Generated Number

  • 0115166320

Structure Descriptors

InChI

1S/C46H34O30/c47-4-12-27(54)40(64)46(70,76-12)23-22-21-19(33(60)36(63)34(22)61)18-20-17(31(58)35(62)32(18)59)16-8(3-11(50)26(53)30(16)57)42(66)72-13-5-71-41(65)6-1-9(48)24(51)28(55)14(6)15-7(2-10(49)25(52)29(15)56)43(67)73-37(13)39(75-44(20)68)38(23)74-45(21)69/h1-3,12-13,23,27,37-40,47-64,70H,4-5H2/t12?,13?,23-,27-,37?,38?,39?,40-,46?/m1/s1

InChIKey

GCEXRPOQEVIITL-XJDSPLDHSA-N

Smiles

c1c2c(c(c(c1O)O)O)-c3c(cc(c(c3O)O)O)C(=O)OC4C(COC2=O)OC(=O)c5cc(c(c(c5-c6c7c(c(c(c6O)O)O)-c8c9c(c(c(c8O)O)O)[C@H](C(C4OC7=O)OC9=O)C1([C@@H]([C@@H](C(O1)CO)O)O)O)O)O)O