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Substance Name: Pavoninin 6
RN: 94359-65-6
InChIKey: PMUDSLBCMZIQTR-CCLGWLKOSA-N

Molecular Formula

  • C37-H61-N-O9

Molecular Weight

  • 663.887
 
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Names and Synonyms

Results Name

  • Pavoninin 6

Synonyms

  • Pavoninin 6
  • Pavoninin-6

Systematic Name

  • beta-D-Glucopyranoside, (3beta,5alpha,15alpha,25R)-26-(acetyloxy)- 3-hydroxycholest-6-en-15-yl 2-(acetylamino)-2-deoxy-

Registry Numbers

CAS Registry Number

  • 94359-65-6

System Generated Number

  • 0094359656

Structure Descriptors

InChI

1S/C37H61NO9/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/h10-11,20-21,24-35,39,42-44H,7-9,12-19H2,1-6H3,(H,38,40)/t20-,21-,24?,25?,26?,27?,28-,29-,30+,31?,32-,33-,34-,35-,36+,37-/m1/s1

InChIKey

PMUDSLBCMZIQTR-CCLGWLKOSA-N

Smiles

O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](O1)CO)NC(=O)C)[C@H]1[C@@H]2[C@@H]3C=C[C@@H]4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]2([C@H](C1)[C@@H](CCC[C@H](COC(=O)C)C)C)C)C)O