(Q105211668)

English

[(1R,2Z,4S,8R,9R,11R,12S)-12-acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2R)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(12-Acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl) 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

422.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₈

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canonical SMILES

O=C1OC2C=C(C)C3(O)OC(C)(CC(OC(=O)C(C)CC)C2C1=C)C(OC(=O)C)C3

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(/C)[C@@]3(O)C[C@H](OC(C)=O)[C@@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3

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found in taxon

Calea oxylepis

1 reference

stated in

New heliangolides from Calea oxylepis

Identifiers

InChI

InChI=1S/C22H30O8/c1-7-11(2)19(24)29-16-9-21(6)17(27-14(5)23)10-22(26,30-21)12(3)8-15-18(16)13(4)20(25)28-15/h8,11,15-18,26H,4,7,9-10H2,1-3,5-6H3/b12-8-/t11-,15+,16-,17+,18+,21-,22-/m1/s1

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InChIKey

PMQSITJYCLUTOO-LOTUZXIMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105211668)

[(1R,2Z,4S,8R,9R,11R,12S)-12-acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2R)-2-methylbutanoate

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Identifiers

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