(Q105272685)

English

[(4S,6R,6aS,9R,10S,10aR)-6-acetyloxy-6a,9,10-trihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzofuran-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-acetyloxy-6a,9,10-trihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzofuran-4-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

428.168247096 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₁₀

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canonical SMILES

O=C1OC23C(=C1COC)C(OC(=O)C)CC(OC(=O)C)(C)C3(O)CCC(O)(C)C2O

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isomeric SMILES

COCC1=C2[C@@H](OC(C)=O)C[C@@](C)(OC(C)=O)[C@@]3(O)CC[C@@](C)(O)[C@H](O)[C@]23OC1=O

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found in taxon

Pseudelephantopus spicatus

1 reference

stated in

New sesquiterpene lactones from the aerial parts of Pseudoelephantopus spicatus

Identifiers

InChI

InChI=1S/C20H28O10/c1-10(21)28-13-8-18(4,29-11(2)22)19(26)7-6-17(3,25)16(24)20(19)14(13)12(9-27-5)15(23)30-20/h13,16,24-26H,6-9H2,1-5H3/t13-,16-,17+,18+,19-,20+/m0/s1

0 references

InChIKey

UHAQFLNYQMGHEC-HCWJOOGXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UHAQFLNYQMGHEC-HCWJOOGXSA-N

(Q105272685)

[(4S,6R,6aS,9R,10S,10aR)-6-acetyloxy-6a,9,10-trihydroxy-3-(methoxymethyl)-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzofuran-4-yl] acetate

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