(Q104965337)

English

(1'R,3S,3aR,4'R,5S,8'S,8aR,9aR)-2',5,8a-trimethyl-8'-[(2S)-6-methylhept-5-en-2-yl]spiro[5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-3,5'-bicyclo[2.2.2]oct-2-ene]-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

2',5,8a-trimethyl-8'-(6-methylhept-5-en-2-yl)spiro[5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-3,5'-bicyclo[2.2.2]oct-2-ene]-2-one

1 reference

based on heuristic

inferred from SMILES

mass

436.334130648 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₂

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canonical SMILES

O=C1OC2CC3(C(=CC2C14CC5C(=CC4C(C5)C(C)CCC=C(C)C)C)C(C)CCC3)C

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isomeric SMILES

CC(C)=CCC[C@H](C)[C@@H]1C[C@@H]2C[C@]3(C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)C5=C[C@@H]43)[C@H]1C=C2C

0 references

found in taxon

Helenium autumnale

1 reference

stated in

Neuartige Bissesquiterpenlactone ausHelenium autumnale L.

Identifiers

InChI

InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,15,19-20,22-23,25-27H,7-8,10-12,14,16-17H2,1-6H3/t19-,20-,22+,23-,25-,26-,27+,29+,30-/m0/s1

0 references

InChIKey

CMXCLTFHXRTSPB-WIXFNSMHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CMXCLTFHXRTSPB-WIXFNSMHSA-N

(Q104965337)

(1'R,3S,3aR,4'R,5S,8'S,8aR,9aR)-2',5,8a-trimethyl-8'-[(2S)-6-methylhept-5-en-2-yl]spiro[5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-3,5'-bicyclo[2.2.2]oct-2-ene]-2-one

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