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Substance Name: 21,23-Diacetyl-27,28-didehydro-12-dehydroxy-27-demethoxy-12,19-dideoxy-11,28,29-trihydro-29-dimethoxyrifamycin s
RN: 172097-91-5
InChIKey: XSQSOUIVSQQXKE-GZAOQJLCSA-N

Molecular Formula

  • C42-H53-N-O13

Molecular Weight

  • 779.8747
 
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Names and Synonyms

  • 21,23-Diacetyl-27,28-didehydro-12-dehydroxy-27-demethoxy-12,19-dideoxy-11,28,29-trihydro-29-dimethoxyrifamycin s

Registry Numbers

CAS Registry Number

  • 172097-91-5

System Generated Number

  • 0172097915

Structure Descriptors

InChI

1S/C42H53NO13/c1-20(38(54-27(8)44)25(6)40(56-29(10)46)26(7)39(55-28(9)45)21(2)16-17-33(51-11)52-12)14-13-15-22(3)42(50)43-31-19-32(47)34-30-18-23(4)53-41(30)24(5)36(48)35(34)37(31)49/h13-21,25-26,33,38-40,48H,1-12H3,(H,43,50)/b14-13+,17-16+,22-15-/t20-,21+,25+,26-,38-,39+,40+/m0/s1

InChIKey

XSQSOUIVSQQXKE-GZAOQJLCSA-N

Smiles

COC(OC)\C=C\[C@@H](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)c3oc(C)cc23