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Substance Name: Corynecandin
RN: 199169-60-3
InChIKey: PKHFEGZZONAJBZ-COWAJZTFSA-N

Note

  • Isolated from Coryneum modonium.

Molecular Formula

  • C41-H60-O16

Molecular Weight

  • 808.909
 
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Names and Synonyms

Results Name

  • Corynecandin

Synonym

  • Corynecandin

Systematic Name

  • D-Glucitol, 1,5-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-((2E,4Z)-1-oxo-2,4-decadienyl)-beta-D-galactopyranosyl)-, 3-((2E,4E)-7-hydroxy-2,8-dimethyl-2,4-decadienoate)

Registry Numbers

CAS Registry Number

  • 199169-60-3

System Generated Number

  • 0199169603

Structure Descriptors

InChI

1S/C41H60O16/c1-5-7-8-9-10-11-12-17-31(47)53-22-30-33(48)34(49)35(50)41(55-30)57-37-29(21-43)54-38(32-25(20-42)18-26(44)19-28(32)46)36(51)39(37)56-40(52)24(4)15-13-14-16-27(45)23(3)6-2/h10-15,17-19,23,27,29-30,33-39,41-46,48-51H,5-9,16,20-22H2,1-4H3/b11-10-,14-13+,17-12+,24-15+/t23?,27?,29-,30-,33+,34+,35-,36+,37-,38+,39-,41+/m1/s1

InChIKey

PKHFEGZZONAJBZ-COWAJZTFSA-N

Smiles

CCCCC/C=C\C=C\C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)/C(=C/C=C/CC(C(C)CC)O)/C)O)c3c(cc(cc3O)O)CO)CO)O)O)O