Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 21,23-O-Diacetyl-27,28-didehydro-27-demethoxy-12,29-deoxy-28,29-dihydro-12-hydroxy-29-(o-t-butyloxyme)rifamycin s
RN: 172097-88-0
InChIKey: JXQRKXSRLSIQFB-HMFQRHFFSA-N

Molecular Formula

  • C44-H56-N2-O14

Molecular Weight

  • 836.9264
 
* 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

  • 21,23-O-Diacetyl-27,28-didehydro-27-demethoxy-12,29-deoxy-28,29-dihydro-12-hydroxy-29-(o-t-butyloxyme)rifamycin s

Registry Numbers

CAS Registry Number

  • 172097-88-0

System Generated Number

  • 0172097880

Structure Descriptors

InChI

1S/C44H56N2O14/c1-21(37(56-27(7)47)25(5)39(58-29(9)49)26(6)38(57-28(8)48)22(2)18-15-19-45-60-43(10,11)12)16-14-17-23(3)42(54)46-30-20-31(50)32-33(36(30)52)35(51)24(4)40-34(32)41(53)44(13,55)59-40/h14-22,25-26,37-39,51,55H,1-13H3,(H,46,54)/b16-14+,18-15+,23-17-,45-19+/t21-,22+,25+,26-,37-,38+,39+,44-/m0/s1

InChIKey

JXQRKXSRLSIQFB-HMFQRHFFSA-N

Smiles

C[C@H](\C=C\C=N\OC(C)(C)C)[C@@H](OC(=O)C)[C@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)\C=C\C=C(\C)/C(=O)NC1=CC(=O)c2c(C1=O)c(O)c(C)c3O[C@](C)(O)C(=O)c23