(Q104988173)

English

[(3aR,4S,5aR,6R,9R,9aR,9bR)-6-hydroxy-9-methoxy-5a-methyl-3-methylidene-2-oxo-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6-hydroxy-9-methoxy-5a-methyl-3-methylidene-2-oxo-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₆

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canonical SMILES

O=C(OC1CC2(C)C(O)CCC(OC)C2C3OC(=O)C(=C)C13)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)C[C@@]1(C)[C@H](O)CC[C@@H](OC)[C@H]21

0 references

found in taxon

Rhodanthe chlorocephala

1 reference

stated in

Sesquiterpene lactones and other constituents from Australian Helipterum species

Identifiers

InChI

InChI=1S/C20H28O6/c1-6-10(2)18(22)25-13-9-20(4)14(21)8-7-12(24-5)16(20)17-15(13)11(3)19(23)26-17/h6,12-17,21H,3,7-9H2,1-2,4-5H3/b10-6-/t12-,13+,14-,15-,16-,17+,20+/m1/s1

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InChIKey

DTBOAACTTLIOGS-SJDZAECESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DTBOAACTTLIOGS-SJDZAECESA-N

(Q104988173)

[(3aR,4S,5aR,6R,9R,9aR,9bR)-6-hydroxy-9-methoxy-5a-methyl-3-methylidene-2-oxo-4,5,6,7,8,9,9a,9b-octahydro-3aH-benzo[g][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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