(Q105266541)

English

(3S,3aS,6E,10Z,11aS)-3-methyl-2-oxo-10-[[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-methyl-2-oxo-10-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxymethyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

426.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₉

0 references

canonical SMILES

O=CC1=CCCC(=CC2OC(=O)C(C)C2CC1)COC3OC(OC)C(O)C(O)C3O

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isomeric SMILES

CO[C@@H]1O[C@H](OC/C2=C\[C@H]3OC(=O)[C@@H](C)[C@@H]3CC/C(C=O)=C\CC2)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Ixeris tamagawaensis

1 reference

stated in

Sesquiterpene lactones from Ixeris tamagawaensis Kitam. III.

Identifiers

InChI

InChI=1S/C21H30O9/c1-11-14-7-6-12(9-22)4-3-5-13(8-15(14)29-19(11)26)10-28-21-18(25)16(23)17(24)20(27-2)30-21/h4,8-9,11,14-18,20-21,23-25H,3,5-7,10H2,1-2H3/b12-4+,13-8-/t11-,14-,15+,16+,17+,18-,20+,21-/m0/s1

0 references

InChIKey

TXEFQAWYCSFSRC-XSQQPSKWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TXEFQAWYCSFSRC-XSQQPSKWSA-N

(Q105266541)

(3S,3aS,6E,10Z,11aS)-3-methyl-2-oxo-10-[[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde

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Identifiers

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