(Q105291114)

English

[(1S,3S,4S,8S,9Z,13S,15S)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.0¹,¹³.0⁴,⁸]heptadec-9-en-3-yl 2-(hydroxymethyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.131467664 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,3S,4R,8R,9Z,13R,15R)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₂O₈

0 references

canonical SMILES

O=C(OC1CC23OC3CCC(=CC4OC(=O)C(=C)C41)COC2O)C(=C)CO

0 references

isomeric SMILES

C=C(CO)C(=O)O[C@H]1C[C@]23O[C@H]2CC/C(=C/[C@@H]2OC(=O)C(=C)[C@H]21)CO[C@@H]3O

0 references

found in taxon

Gymnanthemum amygdalinum

1 reference

stated in

Antitumoral and antimicrobial activities of bitter sesquiterpene lactones of Vernonia amygdalina, a possible medicinal plant used by wild chimpanzees.

Identifiers

InChI

InChI=1S/C19H22O8/c1-9(7-20)16(21)26-13-6-19-14(27-19)4-3-11(8-24-18(19)23)5-12-15(13)10(2)17(22)25-12/h5,12-15,18,20,23H,1-4,6-8H2/b11-5-/t12-,13-,14-,15+,18-,19-/m0/s1

0 references

InChIKey

VPZCNCFYAPSUAL-RPJKVMPJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VPZCNCFYAPSUAL-RPJKVMPJSA-N

(Q105291114)

[(1S,3S,4S,8S,9Z,13S,15S)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate

Statements

Identifiers

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