[(4aS,5R,6S,8aR)-3,4a-dimethyl-5-(3-methylbutanoyloxy)-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (E)-2-methylbut-2-enoate (Q105162150)

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chemical compound

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Language	Label	Description	Also known as
English	[(4aS,5R,6S,8aR)-3,4a-dimethyl-5-(3-methylbutanoyloxy)-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (E)-2-methylbut-2-enoate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

402.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₄O₅

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canonical SMILES

O=C(OC1CCC2CC=3OC=C(C3CC2(C)C1OC(=O)CC(C)C)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1OC(=O)CC(C)C

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found in taxon

Othonna filicaulis

1 reference

stated in

Natürlich vorkommende Terpen-Derivate, XLII. Neue Sesquiterpene der GattungOthonna

Identifiers

InChI

InChI=1S/C24H34O5/c1-7-15(4)23(26)28-19-9-8-17-11-20-18(16(5)13-27-20)12-24(17,6)22(19)29-21(25)10-14(2)3/h7,13-14,17,19,22H,8-12H2,1-6H3/b15-7+/t17-,19+,22+,24+/m1/s1

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InChIKey

MECYONIBORKUBT-UZWSGZPKSA-N

0 references

PubChem CID

163195123

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

MECYONIBORKUBT-UZWSGZPKSA-N

 

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