(Q105379586)

English

ethyl 4-[(1S,7R,13R,15R)-3-hydroxy-5-oxo-7-phenyl-13-[(E)-2-phenylethenyl]-8,14-dioxatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),10-trien-15-yl]butanoate

chemical compound

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instance of

type of chemical entity

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subclass of

Ethyl 4-[3-hydroxy-5-oxo-7-phenyl-13-(2-phenylethenyl)-8,14-dioxatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),10-trien-15-yl]butanoate

1 reference

based on heuristic

inferred from SMILES

mass

552.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

ethyl 4-[(1S,7S,13R,15R)-3-hydroxy-5-oxo-7-phenyl-13-[(E)-2-phenylethenyl]-8,14-dioxatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),10-trien-15-yl]butanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₃₆O₆

0 references

canonical SMILES

O=C(OCC)CCCC1OC2(C=CC=3C=CC=CC3)CC4=CC=5OC(C=6C=CC=CC6)CC(=O)C5C(O)=C4C(C1)C2

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isomeric SMILES

CCOC(=O)CCC[C@@H]1C[C@H]2C[C@](/C=C/c3ccccc3)(Cc3cc4c(c(O)c32)C(=O)C[C@H](c2ccccc2)O4)O1

0 references

found in taxon

Cryptocarya obovata

1 reference

stated in

Cytotoxic flavonoids and alpha-pyrones from Cryptocarya obovata

Identifiers

InChI

InChI=1S/C35H36O6/c1-2-39-31(37)15-9-14-27-18-25-21-35(41-27,17-16-23-10-5-3-6-11-23)22-26-19-30-33(34(38)32(25)26)28(36)20-29(40-30)24-12-7-4-8-13-24/h3-8,10-13,16-17,19,25,27,29,38H,2,9,14-15,18,20-22H2,1H3/b17-16+/t25-,27+,29+,35+/m0/s1

0 references

InChIKey

ZMNVDIHBBPMZMH-VYTQILBDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105379586)

ethyl 4-[(1S,7R,13R,15R)-3-hydroxy-5-oxo-7-phenyl-13-[(E)-2-phenylethenyl]-8,14-dioxatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),10-trien-15-yl]butanoate

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