(Q105216531)

English

(5S,6R,7S,9S,10S,15S,16E,17S)-16-ethylidene-6,7-dihydroxy-5,9-dimethyl-17-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

16-ethylidene-6,7-dihydroxy-5,9-dimethyl-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,12,18-trioxatricyclo[13.4.0.0⁶,¹⁰]nonadec-1(19)-ene-2,13-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=C1OCC(C)C2(O)C(O)CC(C)C2COC(=O)CC3C1=COC(OC4OC(CO)C(O)C(O)C4O)C3=CC

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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)OC[C@H](C)[C@]3(O)[C@@H](O)C[C@H](C)[C@H]3COC(=O)C[C@H]21

0 references

found in taxon

Jasminum mesnyi

1 reference

stated in

Four secoiridoid glucosides from Jasminum mesnyi

Identifiers

InChI

InChI=1S/C26H38O13/c1-4-13-14-6-19(29)35-10-16-11(2)5-18(28)26(16,34)12(3)8-36-23(33)15(14)9-37-24(13)39-25-22(32)21(31)20(30)17(7-27)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+/m0/s1

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InChIKey

PYDQUAKPMYNFTL-ZCFLDQBGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PYDQUAKPMYNFTL-ZCFLDQBGSA-N

(Q105216531)

(5S,6R,7S,9S,10S,15S,16E,17S)-16-ethylidene-6,7-dihydroxy-5,9-dimethyl-17-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,12,18-trioxatricyclo[13.4.0.06,10]nonadec-1(19)-ene-2,13-dione

Statements

Identifiers

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