(Q105289024)

English

4-[[(1R,2R,4aR,8aR)-1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methoxy]-4-oxobutanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

402.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-[[(1S,2R,4aR,8aR)-1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methoxy]-4-oxobutanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₄O₅

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canonical SMILES

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

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isomeric SMILES

CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](COC(=O)CCC(=O)O)[C@]2(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/C24H34O5/c1-17-5-4-6-20-23(17,2)13-10-19(16-29-22(27)8-7-21(25)26)24(20,3)12-9-18-11-14-28-15-18/h5,11,14-15,19-20H,4,6-10,12-13,16H2,1-3H3,(H,25,26)/t19-,20-,23-,24-/m0/s1

0 references

InChIKey

VMJXBULAZAIARU-TZYAJKAJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VMJXBULAZAIARU-TZYAJKAJSA-N

(Q105289024)

4-[[(1R,2R,4aR,8aR)-1-[2-(furan-3-yl)ethyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methoxy]-4-oxobutanoic acid

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Identifiers

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