(Q104913897)

English

[(4S,4aR,5R,6S,8aR)-4-methoxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-6-yl] 3-methylbut-2-enoate

chemical compound

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type of chemical entity

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subclass of

(4-Methoxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-6-yl) 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

360.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₅

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canonical SMILES

O=C(OC1CCC2C(=O)C=3OC=C(C3C(OC)C2(C)C1C)C)C=C(C)C

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isomeric SMILES

CO[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]12C

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found in taxon

Othonna intermedia

1 reference

stated in

Natürlich vorkommende Terpen-Derivate, LVII. Weitere Furanoeremophilane ausOthonna-Arten

Identifiers

InChI

InChI=1S/C21H28O5/c1-11(2)9-16(22)26-15-8-7-14-18(23)19-17(12(3)10-25-19)20(24-6)21(14,5)13(15)4/h9-10,13-15,20H,7-8H2,1-6H3/t13-,14-,15-,20+,21+/m0/s1

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InChIKey

AKWYEFNEYNPFKW-GEXCINKBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AKWYEFNEYNPFKW-GEXCINKBSA-N

(Q104913897)

[(4S,4aR,5R,6S,8aR)-4-methoxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-6-yl] 3-methylbut-2-enoate

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