(Q105001344)

English

[(2R,4R,8S,9S,10S,11S)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(10-Hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,4S,8S,9S,10S,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(2R,4S,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₇

0 references

canonical SMILES

O=C(OC1C(O)C2(OC(=CC2=O)C(C)CC3OC(=O)C(=C)C31)C)C(=CC)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@H](C)C3=CC(=O)[C@@](C)(O3)[C@@H](O)[C@@H](OC(=O)/C(C)=C/C)[C@@H]12

0 references

found in taxon

Bejaranoa balansae

2 references

stated in

Sesquiterpene lactones from two Bejaranoa species

stated in

Balansolide and other sesquiterpene lactones from Bejaranoa balansae

Identifiers

InChI

InChI=1S/C20H24O7/c1-6-9(2)18(23)26-16-15-11(4)19(24)25-13(15)7-10(3)12-8-14(21)20(5,27-12)17(16)22/h6,8,10,13,15-17,22H,4,7H2,1-3,5H3/b9-6+/t10-,13-,15+,16+,17+,20-/m1/s1

0 references

InChIKey

FTVMWSOWJLIHCD-XELPKFAPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FTVMWSOWJLIHCD-XELPKFAPSA-N

(Q105001344)

[(2R,4R,8S,9S,10S,11S)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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