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Substance Name: Periplocoside C
RN: 114828-47-6
InChIKey: OKQKFNTWEWCEEK-UHFFFAOYSA-N

Note

  • Isolated from Periploca sepium.

Molecular Formula

  • C49-H76-O16

Molecular Weight

  • 921.123
 
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Names and Synonyms

Name of Substance

  • Periplocoside C

Systematic Name

  • 2H-Pyran-3(6H)-one, 2-(((3beta,20S)-20-((5-((2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)tetrahydro-4-methoxy-6,9'-dimethylspiro(2H-pyran-2,3'(4'H)-(7H)pyrano(3,4-c)(1,2,5)trioxepin)-7'-yl)oxy)-17-hydroxypregn-5-en-3-yl)oxy)-4-methoxy-6-methy

Registry Numbers

CAS Registry Number

  • 114828-47-6

System Generated Number

  • 0114828476

Structure Descriptors

InChI

1S/C49H76O16/c1-25-19-35(53-8)42(51)45(57-25)61-31-13-16-46(6)30(20-31)11-12-32-33(46)14-17-47(7)34(32)15-18-49(47,52)29(5)60-39-22-37-44(27(3)59-39)64-65-48(24-56-37)23-38(55-10)43(28(4)63-48)62-40-21-36(54-9)41(50)26(2)58-40/h11,19,25-29,31-34,36-41,43-45,50,52H,12-18,20-24H2,1-10H3

InChIKey

OKQKFNTWEWCEEK-UHFFFAOYSA-N

Smiles

O1[C@@]2(CO[C@@H]3C[C@@H](O[C@@H]([C@@H]3OO2)C)O[C@@H]([C@@]2(CC[C@@H]3[C@@H]4CC=C5[C@@]([C@@H]4CC[C@@]23C)(CC[C@@H](C5)O[C@@H]2C(=O)C(OC)=C[C@@H](O2)C)C)O)C)C[C@@H]([C@@H]([C@@H]1C)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)OC)O)C)OC