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Substance Name: Petuniasterone O
RN: 126589-94-4
InChIKey: PEBOOKBVQLZFRK-NQGUFKLPSA-N

Molecular Weight

  • 560.723
 
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Names and Synonyms

  • Petuniasterone O

Registry Numbers

CAS Registry Number

  • 126589-94-4

System Generated Number

  • 0126589944

Structure Descriptors

InChI

1S/C32H48O8/c1-16(22-15-29(6)27(3,4)39-31(8,38-22)40-29)18-9-10-19-23-20(11-13-28(18,19)5)30(7)25(34)21(36-17(2)33)12-14-32(30,35)26-24(23)37-26/h16,18-24,26,35H,9-15H2,1-8H3/t16-,18+,19-,20-,21-,22+,23-,24-,26-,28+,29-,30-,31+,32-/m0/s1

InChIKey

PEBOOKBVQLZFRK-NQGUFKLPSA-N

Smiles

C1[C@@]2(C(O[C@@](O[C@H]1[C@H]([C@H]1CC[C@H]3[C@@H]4[C@H]5[C@H]([C@@]6(CC[C@H](OC(C)=O)C([C@@]6([C@H]4CC[C@@]13C)C)=O)O)O5)C)(C)O2)(C)C)C