(Q105183699)

English

(3aS,5aS,8S,9bS)-5a,9-dimethyl-3-methylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5a,9-dimethyl-3-methylidene-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3aH,4H,5H,6H,7H,8H,9bH-naphtho[1,2-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=C1OC2C3=C(C)C(OC4OC(CO)C(O)C(O)C4O)CCC3(C)CCC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C3=C(C)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)CC[C@@H]12

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found in taxon

Cichorium endivia

1 reference

stated in

Sesquiterpene lactones from Cichorium endivia L. and C. intybus L. and cytotoxic activity

Identifiers

InChI

InChI=1S/C21H30O8/c1-9-11-4-6-21(3)7-5-12(10(2)14(21)18(11)29-19(9)26)27-20-17(25)16(24)15(23)13(8-22)28-20/h11-13,15-18,20,22-25H,1,4-8H2,2-3H3/t11-,12-,13+,15+,16-,17+,18-,20-,21-/m0/s1

0 references

InChIKey

NQBYUJUKDCQZBE-DSFBSKPOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NQBYUJUKDCQZBE-DSFBSKPOSA-N

(Q105183699)

(3aS,5aS,8S,9bS)-5a,9-dimethyl-3-methylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

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Identifiers

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