(Q105169473)

English

[(1S,2R,6S,7R,11S,12R,14S)-11-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(11-Hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

360.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,6R,7R,11S,12S,14R)-11-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₆

0 references

canonical SMILES

O=C(OC1CC(=C2C(O)C3OC3(C)C2C4OC(=O)C(=C)C14)C)C(=CC)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)CC(C)=C1[C@H](O)[C@H]3O[C@@]3(C)[C@@H]12

0 references

found in taxon

Stevia sanguinea

1 reference

stated in

Guaianolides from Stevia sanguinea

Identifiers

InChI

InChI=1S/C20H24O6/c1-6-8(2)18(22)24-11-7-9(3)12-14(20(5)17(26-20)15(12)21)16-13(11)10(4)19(23)25-16/h6,11,13-17,21H,4,7H2,1-3,5H3/b8-6-/t11-,13+,14+,15+,16-,17-,20+/m1/s1

0 references

InChIKey

MPFFCRCWUIPBMC-QZYMONFGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MPFFCRCWUIPBMC-QZYMONFGSA-N

(Q105169473)

[(1S,2R,6S,7R,11S,12R,14S)-11-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl] (Z)-2-methylbut-2-enoate

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