(Q105203314)

English

4-O-[[(1R,2R,4aR,8aR)-1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl] 1-O-methyl butanedioate

chemical compound

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instance of

type of chemical entity

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subclass of

1-{1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl}methyl 4-methyl butanedioate

1 reference

based on heuristic

inferred from SMILES

mass

416.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₆O₅

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canonical SMILES

O=C(OC)CCC(=O)OCC1CCC2(C(=CCCC2C1(C)CCC3=COC=C3)C)C

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isomeric SMILES

COC(=O)CCC(=O)OC[C@@H]1CC[C@@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1

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found in taxon

Baccharis boliviensis

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Baccharis bolivensis

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Identifiers

InChI

InChI=1S/C25H36O5/c1-18-6-5-7-21-24(18,2)14-11-20(17-30-23(27)9-8-22(26)28-4)25(21,3)13-10-19-12-15-29-16-19/h6,12,15-16,20-21H,5,7-11,13-14,17H2,1-4H3/t20-,21-,24-,25-/m0/s1

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InChIKey

OYHUVLDVWBMUEA-NBMBROAQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OYHUVLDVWBMUEA-NBMBROAQSA-N

(Q105203314)

4-O-[[(1R,2R,4aR,8aR)-1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl] 1-O-methyl butanedioate

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