(Q105006418)

English

(3S,3aS,6E,10E,11aR)-3-methyl-2-oxo-10-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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

0 references

subclass of

germacrane sesquiterpenoid

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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(CO)C(O)C(O)C3O

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isomeric SMILES

C[C@@H]1C(=O)O[C@H]2/C=C(/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC/C=C(/C=O)CC[C@@H]12

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found in taxon

Ixeris tamagawaensis

2 references

stated in

Sesquiterpene lactones from Ixeris tamagawaensis Kitam.

stated in

Sesquiterpene lactones from Ixeris tamagawaensis Kitam. III.

Identifiers

InChI

InChI=1S/C21H30O9/c1-11-14-6-5-12(8-22)3-2-4-13(7-15(14)29-20(11)27)10-28-21-19(26)18(25)17(24)16(9-23)30-21/h3,7-8,11,14-19,21,23-26H,2,4-6,9-10H2,1H3/b12-3+,13-7+/t11-,14-,15-,16+,17+,18-,19-,21+/m0/s1

0 references

InChIKey

GCQQNDRUEXZFPE-KLDYKGJWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105006418)

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

Statements

Identifiers

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