(Q104917371)

English

(3aS,5S,6aR,8S,9aR,9bS)-5-hydroxy-3,6,9-trimethylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

5-Hydroxy-3,6,9-trimethylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

424.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS,5R,6aR,8S,9aR,9bS)-5-hydroxy-3,6,9-trimethylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aS,5R,6aR,8R,9aR,9bS)-5-hydroxy-3,6,9-trimethylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aS,5S,6aR,8S,9aR,9bS)-5-hydroxy-3,6,9-trimethylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

1 reference

1 reference

C₂₁H₂₈O₉

0 references

canonical SMILES

O=C1OC2C(C1=C)CC(O)C(=C)C3CC(OC4OC(CO)C(O)C(O)C4O)C(=C)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)C(=C)[C@@H]1C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@H]21

0 references

found in taxon

Crepis pulchra

1 reference

stated in

Phenolics as Chemosystematic Markers in and for the Genus Crepis (Asteraceae, Cichorieae)

Ainsliaea uniflora

1 reference

stated in

Sesquiterpene lactones from Diaspananthus uniflorus (SCH. BIP.) KITAM.

Identifiers

InChI

InChI=1S/C21H28O9/c1-7-10-5-13(28-21-18(26)17(25)16(24)14(6-22)29-21)9(3)15(10)19-11(4-12(7)23)8(2)20(27)30-19/h10-19,21-26H,1-6H2/t10-,11-,12-,13-,14+,15-,16+,17-,18+,19-,21+/m0/s1

0 references

InChIKey

ARJUJAMZTUUZNZ-HKZNLLLKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ARJUJAMZTUUZNZ-HKZNLLLKSA-N

1 reference

(Q104917371)

(3aS,5S,6aR,8S,9aR,9bS)-5-hydroxy-3,6,9-trimethylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one

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Identifiers

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