(Q104939326)

English

[(E)-4-[[(3aR,4R,6E,9R,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]oxy]-3-(hydroxymethyl)-4-oxobut-2-enyl] (2R,3S)-2-hydroxy-3-methylpentanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4-[(9-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl)oxy]-3-(hydroxymethyl)-4-oxobut-2-enyl] 2-hydroxy-3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

mass

492.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₉

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canonical SMILES

O=C(OC1CC(=CCC(O)C(=CC2OC(=O)C(=C)C21)C)C)C(=CCOC(=O)C(O)C(C)CC)CO

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(=C/COC(=O)[C@H](O)[C@@H](C)CC)CO)[C@@H]12

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found in taxon

Schkuhria pinnata

1 reference

stated in

Schkuhripinnatolides, unusual sesquiterpene lactones from Schkuhria pinnata

Identifiers

InChI

InChI=1S/C26H36O9/c1-6-15(3)23(29)26(32)33-10-9-18(13-27)25(31)35-20-11-14(2)7-8-19(28)16(4)12-21-22(20)17(5)24(30)34-21/h7,9,12,15,19-23,27-29H,5-6,8,10-11,13H2,1-4H3/b14-7+,16-12+,18-9+/t15-,19+,20+,21+,22+,23+/m0/s1

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InChIKey

BONDXHVWOVLQNF-RKHDLCOHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BONDXHVWOVLQNF-RKHDLCOHSA-N

(Q104939326)

[(E)-4-[[(3aR,4R,6E,9R,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl]oxy]-3-(hydroxymethyl)-4-oxobut-2-enyl] (2R,3S)-2-hydroxy-3-methylpentanoate

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