(Q104970880)

English

[(2R,3S,4S,5R,6R)-6-[[(3aS,6aR,8S,9aR,9bS)-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-[(3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl)oxy]oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from SMILES

mass

542.215197288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₁₀

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canonical SMILES

O=C1OC2C(C1=C)CCC(=C)C3CC(OC4OC(COC(=O)CC5=CC=C(O)C=C5)C(O)C(O)C4O)C(=C)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](O[C@@H]3O[C@H](COC(=O)Cc4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@H]21

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found in taxon

Youngia japonica

1 reference

stated in

Studies on sesquiterpene glycosides from Crepis japonica BENTH.

Identifiers

InChI

InChI=1S/C29H34O10/c1-13-4-9-18-14(2)28(35)39-27(18)23-15(3)20(11-19(13)23)37-29-26(34)25(33)24(32)21(38-29)12-36-22(31)10-16-5-7-17(30)8-6-16/h5-8,18-21,23-27,29-30,32-34H,1-4,9-12H2/t18-,19-,20-,21+,23-,24+,25-,26+,27-,29+/m0/s1

0 references

InChIKey

CVMJRSCMWDRGJW-ZHHKEQDRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CVMJRSCMWDRGJW-ZHHKEQDRSA-N

1 reference

(Q104970880)

[(2R,3S,4S,5R,6R)-6-[[(3aS,6aR,8S,9aR,9bS)-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

Statements

Identifiers

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