(Q105150649)

English

[(3R,4S,8R,9S,11R)-3-hydroxy-11-methyl-2,7-dimethylidene-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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Statements

instance of

type of chemical entity

0 references

subclass of

(3-Hydroxy-11-methyl-2,7-dimethylidene-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

374.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,4S,8R,9R,11R)-3-hydroxy-11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

5-Epi-Isocentratherin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₇

0 references

canonical SMILES

O=C1OC2C(O)C(=C)C=3OC(C(=O)C3)(C)CC(OC(=O)C(=CC)C)C2C1=C

0 references

isomeric SMILES

C=C1C2=CC(=O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]1O)O2

0 references

found in taxon

Koyamasia calcarea

1 reference

stated in

Antiplasmodial, antimycobacterial, and cytotoxic principles from Camchaya calcarea.

Identifiers

InChI

InChI=1S/C20H22O7/c1-6-9(2)18(23)25-13-8-20(5)14(21)7-12(27-20)10(3)16(22)17-15(13)11(4)19(24)26-17/h6-7,13,15-17,22H,3-4,8H2,1-2,5H3/b9-6+/t13-,15+,16+,17-,20+/m0/s1

0 references

InChIKey

LEMMNOMGQFFVKL-HBKYICKISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LEMMNOMGQFFVKL-HBKYICKISA-N

(Q105150649)

[(3R,4S,8R,9S,11R)-3-hydroxy-11-methyl-2,7-dimethylidene-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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