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Substance Name: Oleoacteoside
RN: 111116-28-0
InChIKey: GFUDEKPTNHEBOW-XAKYLXOMSA-N

Molecular Formula

  • C46-H58-O25

Molecular Weight

  • 1010.94
 
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Names and Synonyms

Results Name

  • Oleoacteoside

Synonym

  • Oleoacteoside

Systematic Name

  • Methyl (5Z,6S)-4-(2-((2R,3R,4S,5R,6R)-2-(2-(3,4-dihydroxyphenyl)ethoxy]-5-((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy-6-(hydroxymethyl)-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl)oxy-2-oxoethyl)-5-ethylidene-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4H-pyran-3-carboxylate

Registry Numbers

CAS Registry Number

  • 111116-28-0

System Generated Number

  • 0111116280

Structure Descriptors

InChI

1S/C46H58O25/c1-4-22-23(24(42(61)62-3)18-64-43(22)71-45-38(60)36(58)34(56)29(16-47)66-45)15-32(54)69-41-40(70-44-37(59)35(57)33(55)19(2)65-44)39(68-31(53)10-7-20-5-8-25(49)27(51)13-20)30(17-48)67-46(41)63-12-11-21-6-9-26(50)28(52)14-21/h4-10,13-14,18-19,23,29-30,33-41,43-52,55-60H,11-12,15-17H2,1-3H3/b10-7+,22-4-/t19-,23?,29+,30+,33-,34+,35+,36-,37+,38+,39+,40-,41+,43-,44-,45-,46+/m0/s1

InChIKey

GFUDEKPTNHEBOW-XAKYLXOMSA-N

Smiles

O([C@H]1[C@@H]([C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@@H](O2)C)[C@@H]([C@H](O1)CO)OC(\C=C\c1cc(c(cc1)O)O)=O)OC(C[C@@H]1C(\[C@@H](OC=C1C(=O)OC)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)=C/C)=O)CCc1cc(c(cc1)O)O