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Substance Name: Baccatin III 13-(R-3-phenyllactate)
RN: 131760-45-7
InChIKey: POYNUVAEPVGQSP-ICKHWRRZSA-N

Molecular Weight

  • 734.79
 
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Names and Synonyms

  • Baccatin III 13-(R-3-phenyllactate)

Registry Numbers

CAS Registry Number

  • 131760-45-7

System Generated Number

  • 0131760457

Structure Descriptors

InChI

1S/C40H46O13/c1-21-27(51-36(47)26(43)17-24-13-9-7-10-14-24)19-40(48)34(52-35(46)25-15-11-8-12-16-25)32-38(6,28(44)18-29-39(32,20-49-29)53-23(3)42)33(45)31(50-22(2)41)30(21)37(40,4)5/h7-16,26-29,31-32,34,43-44,48H,17-20H2,1-6H3/t26-,27+,28+,29-,31-,32+,34+,38-,39+,40-/m1/s1

InChIKey

POYNUVAEPVGQSP-ICKHWRRZSA-N

Smiles

C1[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](C([C@@H](C(C2(C)C)=C([C@H]1OC([C@H](O)Cc1ccccc1)=O)C)OC(=O)C)=O)([C@@H](O)C[C@@H]1[C@@]3(OC(=O)C)CO1)C