(Q105242994)

English

3-Methyl-2-butenoic acid (1R,5R)-3beta-(1-methylethenyl)-6,10beta-dimethyl-8-oxo-9alpha-hydroxyspiro[4.5]deca-6-ene-1alpha-yl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(7-Hydroxy-6,10-dimethyl-8-oxo-2-prop-1-en-2-ylspiro[4.5]dec-9-en-4-yl) 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₄

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canonical SMILES

O=C(OC1CC(C(=C)C)CC21C(=CC(=O)C(O)C2C)C)C=C(C)C

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isomeric SMILES

C=C(C)[C@@H]1C[C@@H](OC(=O)C=C(C)C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C

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found in taxon

Hyoscyamus albus

2 references

stated in

Erratum: Production of Sesquiterpene-Type Phytoalexins by Hairy Roots of Hyoscyamus albus Co-treated with Cupper Sulfate and Methyl Jasmonate [Chem. Pharm. Bull. 58(7): 934-938 (2010)]

stated in

Phytoalexins from hairy roots of Hyoscyamus albus treated with methyl jasmonate

Identifiers

InChI

InChI=1S/C20H28O4/c1-11(2)7-18(22)24-17-9-15(12(3)4)10-20(17)13(5)8-16(21)19(23)14(20)6/h7-8,14-15,17,19,23H,3,9-10H2,1-2,4-6H3/t14-,15-,17-,19-,20+/m1/s1

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InChIKey

RPRWJJHYAIVFEN-LDAIKLSLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RPRWJJHYAIVFEN-LDAIKLSLSA-N

1 reference

(Q105242994)

3-Methyl-2-butenoic acid (1R,5R)-3beta-(1-methylethenyl)-6,10beta-dimethyl-8-oxo-9alpha-hydroxyspiro[4.5]deca-6-ene-1alpha-yl ester

Statements

Identifiers

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