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Substance Name: Parvodicin A
RN: 110882-81-0
UNII: Y2784O6Z0C
InChIKey: OIACJRYTKMQCBK-UAEQOLOQSA-N

Molecular Weight

  • 1704.4876
 
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Names and Synonyms

Name of Substance

  • Parvodicin A

Synonyms

  • Parvodicin B1
  • Parvodicin B2
  • Parvodicin C1
  • Parvodicin C2
  • Parvodicin C3
  • Parvodicin C4
  • UNII-Y2784O6Z0C

Systematic Name

  • Ristomycin A aglycone, 5,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxodecyl)amino)-beta-D-glucopyranuronosyl)-42-O-alpha-D-mannopyranosyl-N15-methyl-

Registry Numbers

CAS Registry Number

  • 110882-81-0

FDA UNII

  • Y2784O6Z0C

System Generated Number

  • 0110882810

Structure Descriptors

InChI

1S/C81H84Cl2N8O29/c1-3-4-5-6-7-8-9-10-54(97)86-63-66(100)68(102)71(79(112)113)120-80(63)119-70-51-25-36-26-52(70)116-48-20-15-35(23-43(48)82)64(98)62-77(109)90-61(78(110)111)41-27-37(93)28-50(117-81-69(103)67(101)65(99)53(31-92)118-81)55(41)40-22-33(13-18-45(40)94)58(74(106)91-62)87-75(107)59(36)88-76(108)60-42-29-39(30-47(96)56(42)83)115-49-24-34(14-19-46(49)95)57(84-2)73(105)85-44(72(104)89-60)21-32-11-16-38(114-51)17-12-32/h11-20,22-30,44,53,57-69,71,80-81,84,92-96,98-103H,3-10,21,31H2,1-2H3,(H,85,105)(H,86,97)(H,87,107)(H,88,108)(H,89,104)(H,90,109)(H,91,106)(H,110,111)(H,112,113)/t44-,53-,57-,58-,59-,60+,61+,62+,63-,64-,65-,66-,67+,68+,69+,71+,80-,81+/m1/s1

InChIKey

OIACJRYTKMQCBK-UAEQOLOQSA-N

Smiles

CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cc4cc2Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9c1cc(cc(c1Cl)O)Oc1cc(ccc1O)[C@H](C(=O)N[C@H](Cc1ccc(cc1)O3)C(=O)N9)NC)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)O)O)C(=O)O)O)O