(Q105143982)

English

(3aR,4R,6aR,9aR,9bR)-4-hydroxy-9-methyl-3,6-dimethylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-hydroxy-9-methyl-3,6-dimethylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[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

(3aR,4R,6aR,9aR,9bS)-4-hydroxy-9-methyl-3,6-dimethylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,4S,6aR,9aR,9bS)-4-hydroxy-9-methyl-3,6-dimethylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one

1 reference

based on heuristic

inferred from InChI

(3aR,4S,6aR,9aR,9bR)-4-hydroxy-9-methyl-3,6-dimethylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₉

0 references

canonical SMILES

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

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isomeric SMILES

C=C1C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12

0 references

found in taxon

Youngia japonica

1 reference

stated in

Studies on sesquiterpene glycosides from Crepis japonica BENTH.

Identifiers

InChI

InChI=1S/C21H28O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h10-11,13-19,21-26H,1,3-6H2,2H3/t10-,11+,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1

0 references

InChIKey

KOSOMLUNTQWAHO-QPBLZKBDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105143982)

(3aR,4R,6aR,9aR,9bR)-4-hydroxy-9-methyl-3,6-dimethylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one

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