Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Baccatin III 13-(R-N-benzoyl-iso-serinate)
RN: 131760-46-8
InChIKey: XGCFAVZHJRXPHO-DGZPLXIUSA-N

Molecular Weight

  • 777.815
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Baccatin III 13-(R-N-benzoyl-iso-serinate)

Registry Numbers

CAS Registry Number

  • 131760-46-8

System Generated Number

  • 0131760468

Structure Descriptors

InChI

1S/C41H47NO14/c1-21-27(54-37(50)26(45)19-42-35(48)24-13-9-7-10-14-24)18-41(51)34(55-36(49)25-15-11-8-12-16-25)32-39(6,28(46)17-29-40(32,20-52-29)56-23(3)44)33(47)31(53-22(2)43)30(21)38(41,4)5/h7-16,26-29,31-32,34,45-46,51H,17-20H2,1-6H3,(H,42,48)/t26-,27+,28+,29-,31-,32+,34+,39-,40+,41-/m1/s1

InChIKey

XGCFAVZHJRXPHO-DGZPLXIUSA-N

Smiles

C1[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](C([C@@H](C(C2(C)C)=C(C)[C@H]1OC([C@H](O)CNC(c1ccccc1)=O)=O)OC(=O)C)=O)([C@H](C[C@@H]1[C@@]3(OC(=O)C)CO1)O)C