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BELLISSAPONIN BS6
SpectraBase Compound ID H2KJAUCH9Ym
InChI InChI=1S/C54H88O24/c1-22-31(59)35(63)40(68)45(72-22)76-42-38(66)34(62)28(20-71-44-39(67)36(64)32(60)26(18-55)73-44)75-47(42)78-48(70)54-14-12-49(2,3)16-24(54)23-8-9-30-50(4)17-25(58)43(77-46-41(69)37(65)33(61)27(19-56)74-46)51(5,21-57)29(50)10-11-53(30,7)52(23,6)13-15-54/h8,22,24-47,55-69H,9-21H2,1-7H3/t22-,24?,25-,26+,27+,28+,29?,30?,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43?,44+,45+,46-,47-,50-,51-,52+,53+,54-/m1/s1
InChIKey YIPIMPSVOUCQBF-ZHKQLFMGSA-N
Mol Weight 1121.3 g/mol
Molecular Formula C54H88O24
Exact Mass 1120.566554 g/mol
Enantiomer InChIKey YIPIMPSVOUCQBF-VZJWXEAZSA-N
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