(Q105253984)

English

(1R,7S,8E,9S,14R,15S,17S)-8-ethylidene-14-hydroxy-15-[(2S)-1-hydroxypropan-2-yl]-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione

chemical compound

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instance of

type of chemical entity

0 references

1 reference

8-Ethylidene-14-hydroxy-15-(1-hydroxypropan-2-yl)-17-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione

1 reference

based on heuristic

inferred from SMILES

mass

558.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₁₃

0 references

canonical SMILES

O=C1OC2CC(C(C)CO)C(O)(COC(=O)CC3C1=COC(OC4OC(CO)C(O)C(O)C4O)C3=CC)C2C

0 references

isomeric SMILES

C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H]3C[C@@H]([C@H](C)CO)[C@](O)(COC(=O)C[C@H]21)[C@H]3C

0 references

found in taxon

Jasminum mesnyi

1 reference

stated in

Four secoiridoid glucosides from Jasminum mesnyi

Identifiers

InChI

InChI=1S/C26H38O13/c1-4-13-14-5-19(29)36-10-26(34)12(3)17(6-16(26)11(2)7-27)37-23(33)15(14)9-35-24(13)39-25-22(32)21(31)20(30)18(8-28)38-25/h4,9,11-12,14,16-18,20-22,24-25,27-28,30-32,34H,5-8,10H2,1-3H3/b13-4+/t11-,12+,14+,16+,17-,18-,20-,21+,22-,24+,25+,26+/m1/s1

0 references

InChIKey

SIRDTQUFJRAAHW-UEARYXHDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SIRDTQUFJRAAHW-UEARYXHDSA-N

(Q105253984)

(1R,7S,8E,9S,14R,15S,17S)-8-ethylidene-14-hydroxy-15-[(2S)-1-hydroxypropan-2-yl]-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione

Statements

Identifiers

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