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Substance Name: Periplocin dihydrate
RN: 11018-76-1
UNII: G8KEW6243X
InChIKey: RPHSJGGDDBGGDS-MQYWENBJSA-N

Molecular Formula

  • C36-H56-O13.2H2-O

Molecular Weight

  • 732.855
 
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Names and Synonyms

Name of Substance

  • Periplocin dihydrate

Synonyms

  • Card-20(22)-enolide, 3-((2,6-dideoxy-4-o-beta-D-glucopyranosyl-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-, dihydrate, (3beta,5beta)-
  • Periplocin dihydrate
  • Periplocin dihydrate [MI]
  • UNII-G8KEW6243X

Registry Numbers

CAS Registry Number

  • 11018-76-1

FDA UNII

  • G8KEW6243X

System Generated Number

  • 0011018761

Structure Descriptors

InChI

1S/C36H56O13.2H2O/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20;;/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3;2*1H2/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31-,32+,33-,34-,35+,36+;;/m1../s1

InChIKey

RPHSJGGDDBGGDS-MQYWENBJSA-N

Smiles

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O.O.O