27-O-demethyl-25-O-deacetyl-rifamycin S

27-<i>O</i>-demethyl-25-<i>O</i>-deacetyl-rifamycin S




Chemical Formula:
C34H41NO11
Molecular Weight:
639.698 Daltons
Monoisotopic Mass:
639.2679611644 Daltons
SMILES:
CC2(C=CC=C(C)C(=O)NC1(=CC(=O)C4(=C(C(=O)1)C(O)=C(C)C3(OC(OC=CC(O)C(C)C(C(C)C(O)C(C)C(O)2)O)(C)C(=O)C=34))))
InChI:
1S/C34H41NO11/c1-14-9-8-10-15(2)33(44)35-20-13-22(37)23-24(30(20)42)29(41)19(6)31-25(23)32(43)34(7,46-31)45-12-11-21(36)16(3)27(39)18(5)28(40)17(4)26(14)38/h8-14,16-18,21,26-28,36,38-41H,1-7H3,(H,35,44)/b9-8+,12-11+,15-10-/t14-,16+,17+,18-,21-,26-,27+,28+,34-/m0/s1
InChIKey:
VCKBLTRSSYIXLX-KATQMFCOSA-N

Synonyms
  • demethyl-desacetyl-rifamycin S

Databases
MetaCyc:  CPD-10239
PubChem (CID):  91820466
ChEBI:  34669
KEGG:  C14724
MetaNetX:  MNXM164174