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Substance Name: Periplocoside J
RN: 119902-15-7
InChIKey: UCVQFAPCJAFZOC-UHFFFAOYSA-N

Note

  • From Periploca sepium.

Molecular Formula

  • C61-H100-O23

Molecular Weight

  • 1201.44
 
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Names and Synonyms

Name of Substance

  • Periplocoside J

Systematic Name

  • beta-D-ribo-Hexopyranoside, 7'-(((3beta,20S)-3,17-dihydroxypregn-5-en-20-yl)oxy)octahydro-4-methoxy-6,9'-dimethylspiro(2H-pyran-2,3'(4'H)-(7H)pyrano(3,4-c)(1,2,5)trioxepin)-5-yl O-6-deoxy-3-O-methyl-beta-D-galactopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1-4)-2,6-dideoxy-, (3'S-(3'alpha(4S*,5S*,6S*),5'abeta,7'alpha,9'alpha,9'aalpha))-

Registry Numbers

CAS Registry Number

  • 119902-15-7

System Generated Number

  • 0119902157

Structure Descriptors

InChI

1S/C61H100O23/c1-28-49(65)56(70-12)50(66)57(76-28)81-53-31(4)74-48(24-42(53)68-10)79-52-30(3)72-45(22-40(52)63)78-51-29(2)73-46(23-41(51)64)80-54-33(6)82-60(26-44(54)69-11)27-71-43-25-47(75-32(5)55(43)83-84-60)77-34(7)61(67)20-17-39-37-14-13-35-21-36(62)15-18-58(35,8)38(37)16-19-59(39,61)9/h13,28-34,36-57,62-67H,14-27H2,1-12H3

InChIKey

UCVQFAPCJAFZOC-UHFFFAOYSA-N

Smiles

C1[C@@]2(O[C@@H]([C@@H](O[C@@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)C)O)OC)O)OC)O)O)[C@@H]1OC)C)OO[C@@H]1[C@@H](O[C@@H](C[C@@H]1OC2)O[C@@H]([C@@]1(CC[C@@H]2[C@@H]3CC=C4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]12C)C)O)O)C)C