(Q105143927)

English

(3aS,6R,6aR,9aR,9bS)-6,9-dimethyl-3-methylidene-6-[(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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Statements

instance of

type of chemical entity

0 references

subclass of

6,9-dimethyl-3-methylidene-6-[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

410.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₈

0 references

canonical SMILES

O=C1OC2C(C1=C)CCC(OC3OC(CO)C(O)C(O)C3O)(C)C4CC=C(C)C24

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isomeric SMILES

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

0 references

found in taxon

Pertya triloba

2 references

stated in

Studies on sesquiterpenes from Macroclinidium trilobum MAKINO. II.

stated in

Studies on sesquiterpenes from Macroclinidium trilobum MAKINO. II.

Cichorium endivia

1 reference

stated in

Sesquiterpenoids and phenolics from roots of Cichorium endivia var. crispum.

Identifiers

InChI

InChI=1S/C21H30O8/c1-9-4-5-12-14(9)18-11(10(2)19(26)28-18)6-7-21(12,3)29-20-17(25)16(24)15(23)13(8-22)27-20/h4,11-18,20,22-25H,2,5-8H2,1,3H3/t11-,12+,13+,14-,15+,16-,17+,18-,20-,21+/m0/s1

0 references

InChIKey

KOPXWIMKXSMOBB-DEPSYMKBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KOPXWIMKXSMOBB-DEPSYMKBSA-N

1 reference

(Q105143927)

(3aS,6R,6aR,9aR,9bS)-6,9-dimethyl-3-methylidene-6-[(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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Identifiers

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