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Substance Name: 3-Carbomethoxy rifamycin S
RN: 72393-97-6
InChIKey: XFRYRJXDUPKTPV-OLWWRSTLSA-N

Molecular Formula

  • C39-H47-N-O14

Molecular Weight

  • 753.7933
 
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Names and Synonyms

Name of Substance

  • 3-Carbomethoxy rifamycin S

Systematic Name

  • Rifamycin, 1,4-dideoxy-1,4-dihydro-3-(methoxycarbonyl)-1,4-dioxo-

Registry Numbers

CAS Registry Number

  • 72393-97-6

System Generated Number

  • 0072393976

Structure Descriptors

InChI

1S/C39H47NO14/c1-16-12-11-13-17(2)37(48)40-28-27(38(49)51-10)32(45)24-25(33(28)46)31(44)21(6)35-26(24)36(47)39(8,54-35)52-15-14-23(50-9)18(3)34(53-22(7)41)20(5)30(43)19(4)29(16)42/h11-16,18-20,23,29-30,34,42-44H,1-10H3,(H,40,48)/b12-11+,15-14+,17-13+/t16-,18+,19+,20+,23-,29-,30+,34+,39-/m0/s1

InChIKey

XFRYRJXDUPKTPV-OLWWRSTLSA-N

Smiles

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C(C(=O)OC)C(=O)c4c3C2=O)NC(=O)\C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C