(Q105374197)

English

methyl (4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-5,6-dimethyl-8a-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate

chemical compound

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type of chemical entity

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subclass of

Methyl 5-[2-(furan-3-yl)ethyl]-5,6-dimethyl-8a-(2-methylbut-2-enoyloxymethyl)-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

428.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₅

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canonical SMILES

O=C(OC)C1=CCCC2C1(COC(=O)C(=CC)C)CCC(C)C2(C)CCC3=COC=C3

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isomeric SMILES

C/C=C(/C)C(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2C(=O)OC

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found in taxon

Nidorella ivifolia

1 reference

stated in

Clerodan-Derivate und neuartige Diterpene ausConyza scabrida DC

Identifiers

InChI

InChI=1S/C26H36O5/c1-6-18(2)23(27)31-17-26-14-10-19(3)25(4,13-11-20-12-15-30-16-20)22(26)9-7-8-21(26)24(28)29-5/h6,8,12,15-16,19,22H,7,9-11,13-14,17H2,1-5H3/b18-6-/t19-,22-,25+,26-/m1/s1

0 references

InChIKey

ZFIOKPNBFIPPLE-LPNOQCQNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZFIOKPNBFIPPLE-LPNOQCQNSA-N

(Q105374197)

methyl (4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-5,6-dimethyl-8a-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate

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