(Q104972890)

English

(Z)-2-Methyl-2-butenoic acid (4aR)-2,4,4a,5,6,7,8,8abeta,9,9abeta-decahydro-4beta-hydroxy-9a-methoxy-3,4abeta,5beta-trimethyl-2-oxonaphtho[2,3-b]furan-8alpha-yl ester

chemical compound

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instance of

type of chemical entity

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subclass of

(4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₆

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canonical SMILES

O=C(OC1CCC(C)C2(C)C(O)C3=C(C(=O)OC3(OC)CC12)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@@]3(OC)C[C@@H]12

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found in taxon

Senecio miser

1 reference

stated in

Defensive chemistry of Senecio miser

Identifiers

InChI

InChI=1S/C21H30O6/c1-7-11(2)18(23)26-15-9-8-12(3)20(5)14(15)10-21(25-6)16(17(20)22)13(4)19(24)27-21/h7,12,14-15,17,22H,8-10H2,1-6H3/b11-7-/t12-,14-,15-,17+,20+,21-/m0/s1

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InChIKey

CZMOHCGAILDDJJ-TVEXLHLKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104972890)

(Z)-2-Methyl-2-butenoic acid (4aR)-2,4,4a,5,6,7,8,8abeta,9,9abeta-decahydro-4beta-hydroxy-9a-methoxy-3,4abeta,5beta-trimethyl-2-oxonaphtho[2,3-b]furan-8alpha-yl ester

Statements

Identifiers

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