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Substance Name: Pavoninin 4
RN: 94359-66-7
UNII: YIG180HV2J
InChIKey: WXOGDJTTZMLWNJ-HMSUEKJRSA-N

Note

  • Shark repellent.

Molecular Formula

  • C37-H63-N-O9

Molecular Weight

  • 665.9027
 
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Names and Synonyms

Results Name

  • Pavoninin 4

Name of Substance

  • Pavoninin-4

Synonyms

  • Pavoninin 4
  • Pavoninin-4
  • UNII-YIG180HV2J

Systematic Name

  • beta-D-Glucopyranoside, (3alpha,5alpha,15alpha,25R)-26-(acetyloxy)-3-hydroxycholestan-15-yl 2-(acetylamino)-2-deoxy-

Registry Numbers

CAS Registry Number

  • 94359-66-7

FDA UNII

  • YIG180HV2J

System Generated Number

  • 0094359667

Structure Descriptors

InChI

1S/C37H63NO9/c1-20(19-45-23(4)41)8-7-9-21(2)28-17-29(46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35)31-26-11-10-24-16-25(42)12-14-36(24,5)27(26)13-15-37(28,31)6/h20-21,24-35,39,42-44H,7-19H2,1-6H3,(H,38,40)/t20-,21-,24+,25-,26-,27+,28-,29+,30-,31-,32-,33-,34-,35-,36+,37-/m1/s1

InChIKey

WXOGDJTTZMLWNJ-HMSUEKJRSA-N

Smiles

C[C@H](CCC[C@@H](C)[C@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)C)[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)COC(=O)C