(Q104991413)

English

[(2R,3S,4S,5R,6S)-6-[[(3aS,5aS,8R,8aR,9aR)-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-8-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[6-({5,8-dimethyl-3-methylidene-2-oxo-3aH,4H,4aH,6H,7H,7aH,9aH-azuleno[6,5-b]furan-5-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

452.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5R,6S)-6-[[(3aR,5aR,8R,8aR,9aR)-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-8-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R,3S,4S,5S,6S)-6-[[(3aR,5aS,8R,8aR,9aR)-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-8-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₂O₉

0 references

canonical SMILES

O=C1OC2C=C(C)C3CCC(OC4OC(COC(=O)C)C(O)C(O)C4O)(C)C3CC2C1=C

0 references

isomeric SMILES

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

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found in taxon

Hymenoxys lemmonii

1 reference

stated in

Sesquiterpene lactone aglycones and glycosides from Hymenoxys lemmonii

Identifiers

InChI

InChI=1S/C23H32O9/c1-10-7-16-14(11(2)21(28)30-16)8-15-13(10)5-6-23(15,4)32-22-20(27)19(26)18(25)17(31-22)9-29-12(3)24/h7,13-20,22,25-27H,2,5-6,8-9H2,1,3-4H3/t13-,14-,15-,16+,17-,18-,19+,20-,22+,23-/m1/s1

0 references

InChIKey

DYLLAMCKQXNEAV-KEGMCWRCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DYLLAMCKQXNEAV-KEGMCWRCSA-N

(Q104991413)

[(2R,3S,4S,5R,6S)-6-[[(3aS,5aS,8R,8aR,9aR)-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,7-b]furan-8-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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