(Q105255024)

English

[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl] (3aS,6Z,10E,11aR)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl 10-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

466.18389716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₀O₁₀

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canonical SMILES

O=C(OC1OC(COC(=O)C)C(O)C(O)C1O)C2=CCCC(=CC3OC(=O)C(=C)C3CC2)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C(=O)O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H]12

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found in taxon

Taraxacum udum

1 reference

stated in

Sesquiterpenoids and phenolics from roots of Taraxacum udum.

Identifiers

InChI

InChI=1S/C23H30O10/c1-11-5-4-6-14(7-8-15-12(2)21(28)31-16(15)9-11)22(29)33-23-20(27)19(26)18(25)17(32-23)10-30-13(3)24/h6,9,15-20,23,25-27H,2,4-5,7-8,10H2,1,3H3/b11-9+,14-6-/t15-,16+,17+,18+,19-,20+,23-/m0/s1

0 references

InChIKey

SKTIONWWAXSDGA-YYGPVTFESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SKTIONWWAXSDGA-YYGPVTFESA-N

(Q105255024)

[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl] (3aS,6Z,10E,11aR)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

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Identifiers

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