(Q105031212)

English

Acetic acid [(4S,6R,7R,10S,11E)-2,4,5,6,7,8,9,10-octahydro-2-oxo-3-(ethoxymethyl)-6,7-dihydroxy-6,10-dimethyl-7,10-epoxycyclodeca[b]furan]-4-yl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[6-(Ethoxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

382.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2E,8R,10S,11S)-6-(ethoxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2E,8S,10R,11S)-6-(ethoxymethyl)-10,11-dihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆O₈

0 references

canonical SMILES

O=C1OC2=CC3(OC(O)(CC3)C(O)(C)CC(OC(=O)C)C2=C1COCC)C

0 references

isomeric SMILES

CCOCC1=C2/C(=C\[C@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O

0 references

found in taxon

Lepidaploa leptoclada

1 reference

stated in

Sesquiterpenic Lactones of Some Species of Genus Vernonia SCHREB.

Identifiers

InChI

InChI=1S/C19H26O8/c1-5-24-10-12-15-13(26-16(12)21)8-17(3)6-7-19(23,27-17)18(4,22)9-14(15)25-11(2)20/h8,14,22-23H,5-7,9-10H2,1-4H3/b13-8+/t14-,17-,18+,19+/m0/s1

0 references

InChIKey

HODSXGNLSBTPSP-DTDVGYQLSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

HODSXGNLSBTPSP-DTDVGYQLSA-N

1 reference

(Q105031212)

Acetic acid [(4S,6R,7R,10S,11E)-2,4,5,6,7,8,9,10-octahydro-2-oxo-3-(ethoxymethyl)-6,7-dihydroxy-6,10-dimethyl-7,10-epoxycyclodeca[b]furan]-4-yl ester

Statements

Identifiers

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