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Substance Name: 21,23-O-Diacetyl-27,28-didehydro-27-demethoxy-12,29-deoxy-28,29-dihydro-12-hydroxy-29-oxorifamycin S
RN: 172097-83-5
InChIKey: LWLMNSLJCMCAAL-GZQRMGLWSA-N

Molecular Formula

  • C40-H47-N-O14

Molecular Weight

  • 765.8043
 
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Names and Synonyms

  • 21,23-O-Diacetyl-27,28-didehydro-27-demethoxy-12,29-deoxy-28,29-dihydro-12-hydroxy-29-oxorifamycin S

Registry Numbers

CAS Registry Number

  • 172097-83-5

System Generated Number

  • 0172097835

Structure Descriptors

InChI

1S/C40H47NO14/c1-18(34(52-24(7)43)22(5)36(54-26(9)45)23(6)35(53-25(8)44)19(2)15-12-16-42)13-11-14-20(3)39(50)41-27-17-28(46)29-30(33(27)48)32(47)21(4)37-31(29)38(49)40(10,51)55-37/h11-19,22-23,34-36,47,51H,1-10H3,(H,41,50)/b13-11+,15-12+,20-14-/t18-,19+,22+,23-,34-,35+,36+,40-/m0/s1

InChIKey

LWLMNSLJCMCAAL-GZQRMGLWSA-N

Smiles

C[C@H](\C=C\C=O)[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