Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoyltaxol
RN: 156481-34-4
InChIKey: ULRXXOPTBNYPKA-VFTBNVCNSA-N

Molecular Formula

  • C54-H55-N-O15

Molecular Weight

  • 958.021
 
* 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

Name of Substance

  • Benzoyltaxol

Systematic Name

  • Benzenepropanoic acid, beta-((4-benzoylbenzoyl)amino)-alpha-hydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a-8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester,(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alphaR*,betaS*),11alpha,12alpha,12aalpha,12balpha))-

Registry Numbers

CAS Registry Number

  • 156481-34-4

System Generated Number

  • 0156481344

Structure Descriptors

InChI

1S/C54H55NO15/c1-29-37(68-50(64)43(60)41(32-16-10-7-11-17-32)55-48(62)35-24-22-34(23-25-35)42(59)33-18-12-8-13-19-33)27-54(65)47(69-49(63)36-20-14-9-15-21-36)45-52(6,38(58)26-39-53(45,28-66-39)70-31(3)57)46(61)44(67-30(2)56)40(29)51(54,4)5/h7-25,37-39,41,43-45,47,58,60,65H,26-28H2,1-6H3,(H,55,62)/t37-,38-,39+,41-,43+,44+,45-,47-,52+,53-,54+/m0/s1

InChIKey

ULRXXOPTBNYPKA-VFTBNVCNSA-N

Smiles

c1(C(c2ccc(cc2)C(N[C@H]([C@H](C(O[C@H]2C[C@@]3([C@H]([C@H]4[C@@](C([C@@H](C(=C2C)C3(C)C)OC(C)=O)=O)([C@H](C[C@@H]2[C@@]4(CO2)OC(C)=O)O)C)OC(c2ccccc2)=O)O)=O)O)c2ccccc2)=O)=O)ccccc1