(Q104990277)

English

[(1R,2Z,4S,8R,9R,11R,12R)-1,12-dihydroxy-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

(1,12-Dihydroxy-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

380.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₇

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canonical SMILES

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

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(/C)[C@@]3(O)C[C@@H](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/C20H28O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h7,10,13-16,21,24H,4,6,8-9H2,1-3,5H3/b11-7-/t10-,13+,14-,15-,16+,19-,20-/m1/s1

0 references

InChIKey

DVPKWCJSSCBSDW-QXZWOLKJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DVPKWCJSSCBSDW-QXZWOLKJSA-N

(Q104990277)

[(1R,2Z,4S,8R,9R,11R,12R)-1,12-dihydroxy-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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