(Q104923124)

English

[(3aR,4R,6E,9R,10Z,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (5S)-5-methoxy-2,5-dihydrofuran-3-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

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mass

432.178417856 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₈O₈

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canonical SMILES

O=C(OC1CC(=CCC(OC(=O)C)C(=CC2OC(=O)C(=C)C21)C)C)C3=CC(OC)OC3

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(/C)[C@H](OC(C)=O)C/C=C(\C)C[C@@H](OC(=O)C3=C[C@@H](OC)OC3)[C@@H]12

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found in taxon

Schkuhria pinnata

1 reference

stated in

Germacranolides from Schkuhria anthemoidea

Identifiers

InChI

InChI=1S/C23H28O8/c1-12-6-7-17(29-15(4)24)13(2)9-19-21(14(3)22(25)30-19)18(8-12)31-23(26)16-10-20(27-5)28-11-16/h6,9-10,17-21H,3,7-8,11H2,1-2,4-5H3/b12-6+,13-9-/t17-,18-,19+,20+,21-/m1/s1

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InChIKey

BBXCDCLHFIFUNO-UHSXFALYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BBXCDCLHFIFUNO-UHSXFALYSA-N

(Q104923124)

[(3aR,4R,6E,9R,10Z,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (5S)-5-methoxy-2,5-dihydrofuran-3-carboxylate

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