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Substance Name: Dregeoside C
RN: 126005-92-3
InChIKey: ZUUMWSMPQZIMEU-UHFFFAOYSA-N

Molecular Formula

  • C51-H78-O16

Molecular Weight

  • 947.161
 
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Names and Synonyms

  • Dregeoside C

Registry Numbers

CAS Registry Number

  • 126005-92-3

System Generated Number

  • 0126005923

Structure Descriptors

InChI

1S/C51H78O16/c1-27-44(53)37(57-8)24-42(60-27)66-46-29(3)62-43(26-39(46)59-10)67-45-28(2)61-41(25-38(45)58-9)65-34-18-19-48(6)33(22-34)16-17-35-36(48)23-40(64-31(5)52)49(7)50(55,20-21-51(35,49)56)30(4)63-47(54)32-14-12-11-13-15-32/h11-15,27-30,33-46,53,55-56H,16-26H2,1-10H3

InChIKey

ZUUMWSMPQZIMEU-UHFFFAOYSA-N

Smiles

O([C@@H]1[C@@H](O[C@@H](O[C@@H]2[C@@H](O[C@@H](O[C@@H]3CC[C@@]4(C)[C@@H](C3)CC[C@@H]3[C@@]5([C@@]([C@@H](C[C@@H]43)OC(C)=O)([C@@](CC5)(O)[C@@H](C)OC(c3ccccc3)=O)C)O)C[C@@H]2OC)C)C[C@@H]1OC)C)[C@@H]1C[C@@H](OC)[C@@H]([C@@H](C)O1)O