(Q105164663)

English

[(1S,2R,5R,6R,7R,8R,11R)-6-(acetyloxymethyl)-5,7,11-trihydroxy-2,7-dimethyl-10-oxo-9-oxatricyclo[6.3.1.01,5]dodecan-6-yl]methyl butanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-(Acetyloxymethyl)-5,7,11-trihydroxy-2,7-dimethyl-10-oxo-9-oxatricyclo[6.3.1.01,5]dodecan-6-yl]methyl butanoate

1 reference

based on heuristic

inferred from SMILES

mass

428.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂O₉

0 references

canonical SMILES

O=C(OCC1(COC(=O)CCC)C(O)(C)C2OC(=O)C(O)C3(C2)C(C)CCC13O)C

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isomeric SMILES

CCCC(=O)OC[C@@]1(COC(C)=O)[C@@](C)(O)[C@H]2C[C@]3([C@H](C)CC[C@@]31O)[C@@H](O)C(=O)O2

0 references

found in taxon

Illicium floridanum

1 reference

stated in

New Sesquiterpene Lactones from Illicium floridanum

Identifiers

InChI

InChI=1S/C21H32O9/c1-5-6-15(23)29-11-19(10-28-13(3)22)18(4,26)14-9-20(16(24)17(25)30-14)12(2)7-8-21(19,20)27/h12,14,16,24,26-27H,5-11H2,1-4H3/t12-,14-,16+,18+,19+,20+,21+/m1/s1

0 references

InChIKey

MIFYTBIFCJREKB-KVWQMUJTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MIFYTBIFCJREKB-KVWQMUJTSA-N

(Q105164663)

[(1S,2R,5R,6R,7R,8R,11R)-6-(acetyloxymethyl)-5,7,11-trihydroxy-2,7-dimethyl-10-oxo-9-oxatricyclo[6.3.1.01,5]dodecan-6-yl]methyl butanoate

Statements

Identifiers

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