(Q105312748)

English

[(3aR,4R,6E,8R,10E,11aS)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(acetyloxymethyl)but-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(8-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 2-(acetyloxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

[(3aR,4R,6E,8S,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(acetoxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

1 reference

[(3aR,4R,6E,8R,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(acetyloxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Eupatorium chinense

1 reference

stated in

Cytotoxic sesquiterpenoids from Eupatorium chinense

Eupatorium glehnii

1 reference

stated in

Seven germacranolides, eupaglehnins A, B, C, D, E, and F, and 2alpha-acetoxyepitulipinolide from Eupatorium glehni

Identifiers

InChI

InChI=1S/C22H28O7/c1-6-16(11-27-15(5)23)22(26)29-19-10-13(3)8-17(24)7-12(2)9-18-20(19)14(4)21(25)28-18/h6,8-9,17-20,24H,4,7,10-11H2,1-3,5H3/b12-9+,13-8+,16-6-/t17-,18+,19-,20+/m1/s1

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InChIKey

WTROTTYFRJDSKY-FIYAMLOUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WTROTTYFRJDSKY-FIYAMLOUSA-N

(Q105312748)

[(3aR,4R,6E,8R,10E,11aS)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(acetyloxymethyl)but-2-enoate

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