(Q105031313)

English

[(2S,3R,6R,8S,11R,12R,18R)-18-(furan-3-yl)-2,11-dihydroxy-3,9,9,17-tetramethyl-5,10,20-trioxo-4,7,19-trioxahexacyclo[11.7.1.02,11.03,8.06,8.017,21]henicosa-1(21),13-dien-12-yl] acetate

group of stereoisomers with the chemical formula C₂₈H₂₈O₁₁

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

540.163161716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₈O₁₁

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canonical SMILES

O=C1OC(C2=COC=C2)C3(C=4C(=CCC3)C(OC(=O)C)C5(O)C(=O)C(C)(C)C67OC7C(=O)OC6(C)C5(O)C14)C

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isomeric SMILES

CC(=O)O[C@@H]1C2=CCCC3(C)C2=C(C(=O)O[C@H]3c2ccoc2)[C@]2(O)[C@@]1(O)C(=O)C(C)(C)[C@]13O[C@H]1C(=O)O[C@@]32C

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found in taxon

Lansium domesticum

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stated in

Structure of dukunolides, bitter principles of Lansium domesticum

Identifiers

InChI

InChI=1S/C28H28O11/c1-12(29)36-18-14-7-6-9-24(4)15(14)16(20(30)37-17(24)13-8-10-35-11-13)27(34)25(5)28(19(38-28)21(31)39-25)23(2,3)22(32)26(18,27)33/h7-8,10-11,17-19,33-34H,6,9H2,1-5H3/t17-,18+,19-,24?,25+,26-,27+,28+/m0/s1

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InChIKey

HOJFTRARYIFTJU-KGARTDGWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HOJFTRARYIFTJU-KGARTDGWSA-N

1 reference

(Q105031313)

[(2S,3R,6R,8S,11R,12R,18R)-18-(furan-3-yl)-2,11-dihydroxy-3,9,9,17-tetramethyl-5,10,20-trioxo-4,7,19-trioxahexacyclo[11.7.1.02,11.03,8.06,8.017,21]henicosa-1(21),13-dien-12-yl] acetate

Statements

Identifiers

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