(Q105236156)

English

(3aR,6E,10E,11aR)-3a,4,5,8,9,11a-Hexahydro-3-methylene-6,10-dimethyl-4alpha-[(E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)-2-butenoyloxy]methyl]-2-butenoyloxy]cyclodeca[b]furan-2(3H)-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 4-hydroxy-2-({[2-(hydroxymethyl)but-2-enoyl]oxy}methyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

460.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₈

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canonical SMILES

O=C(OCC(=CCO)C(=O)OC1CC(=CCCC(=CC2OC(=O)C(=C)C21)C)C)C(=CC)CO

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isomeric SMILES

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

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found in taxon

Carphochaete pringlei

1 reference

stated in

A cyclopropanoheliangolide and guaianolides from cronquistia pringlei

Hymenopappus scabiosaeus

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stated in

Further guaianolides from Hymenopappus species

Perityle emoryi

1 reference

stated in

Sesquiterpene lactones from Perityle emoryi

Identifiers

InChI

InChI=1S/C25H32O8/c1-5-18(13-27)24(29)31-14-19(9-10-26)25(30)33-21-12-16(3)8-6-7-15(2)11-20-22(21)17(4)23(28)32-20/h5,8-9,11,20-22,26-27H,4,6-7,10,12-14H2,1-3H3/b15-11+,16-8+,18-5+,19-9+/t20-,21-,22+/m1/s1

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InChIKey

RGYSAHPFPKVFJH-XGCLGDCTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RGYSAHPFPKVFJH-XGCLGDCTSA-N

1 reference

(Q105236156)

(3aR,6E,10E,11aR)-3a,4,5,8,9,11a-Hexahydro-3-methylene-6,10-dimethyl-4alpha-[(E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)-2-butenoyloxy]methyl]-2-butenoyloxy]cyclodeca[b]furan-2(3H)-one

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