(Q105187762)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

3-Methylidene-2-oxo-10-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

424.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₉

0 references

canonical SMILES

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

0 references

isomeric SMILES

C=C1C(=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

0 references

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/C21H28O9/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/h3,7-8,14-19,21,23-26H,1-2,4-6,9-10H2/b12-3+,13-7+/t14-,15-,16+,17+,18-,19+,21+/m0/s1

0 references

InChIKey

NYXRAMZXDCVANM-KSIOGQFOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NYXRAMZXDCVANM-KSIOGQFOSA-N

(Q105187762)

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

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