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Substance Name: Albireodelphin A
RN: 190511-77-4
InChIKey: BIBNUKILYWNEFA-XQCSBWSISA-O

Molecular Weight

  • 951.808
 
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Names and Synonyms

  • Albireodelphin A

Registry Numbers

CAS Registry Number

  • 190511-77-4

System Generated Number

  • 0190511774

Structure Descriptors

InChI

1S/C42H46O25/c43-11-25-30(51)33(54)36(57)41(65-25)63-23-7-15(6-20(48)29(23)50)39-24(64-42-37(58)34(55)31(52)26(12-44)66-42)10-17-21(61-39)8-16(45)9-22(17)62-40-38(59)35(56)32(53)27(67-40)13-60-28(49)4-2-14-1-3-18(46)19(47)5-14/h1-10,25-27,30-38,40-44,51-59H,11-13H2,(H4-,45,46,47,48,49,50)/p+1/t25-,26-,27-,30-,31-,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/m1/s1

InChIKey

BIBNUKILYWNEFA-XQCSBWSISA-O

Smiles

[o+]1c(c(cc2c1cc(cc2O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(\C=C\c1cc(c(cc1)O)O)=O)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)c1cc(c(c(c1)O)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO