(Q105140272)

English

[(3aR,4R,4aS,8R,8aR,9aR)-8-acetyloxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(8-Acetyloxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

388.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₆

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canonical SMILES

O=C1OC2CC3(C)C(OC(=O)C)CCC(=C)C3C(OC(=O)C(=CC)C)C2C1=C

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isomeric SMILES

C=C1CC[C@@H](OC(C)=O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3[C@H](OC(=O)/C(C)=C\C)[C@@H]12

0 references

found in taxon

Gonospermum fruticosum

1 reference

stated in

Sesquiterpene lactones from Gonospermum gomerae and G. fruticosum and their cytotoxic activities

Identifiers

InChI

InChI=1S/C22H28O6/c1-7-11(2)20(24)28-19-17-13(4)21(25)27-15(17)10-22(6)16(26-14(5)23)9-8-12(3)18(19)22/h7,15-19H,3-4,8-10H2,1-2,5-6H3/b11-7-/t15-,16-,17-,18-,19+,22+/m1/s1

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InChIKey

KEZSKLRXKBNYBG-IQHQTUSASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KEZSKLRXKBNYBG-IQHQTUSASA-N

(Q105140272)

[(3aR,4R,4aS,8R,8aR,9aR)-8-acetyloxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

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