(Q104955571)

English

(1S,4aR,5S,6R)-5-[2-(furan-3-yl)ethyl]-1,5,6-trimethyl-2,3,4,4a,6,7-hexahydronaphthalene-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-[2-(Furan-3-yl)ethyl]-1,5,6-trimethyl-2,3,4,4a,6,7-hexahydronaphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4aS,5R,6S)-5-[2-(furan-3-yl)ethyl]-1,5,6-trimethyl-2,3,4,4a,6,7-hexahydronaphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₃

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canonical SMILES

O=C(O)C1(C2=CCC(C)C(C)(CCC3=COC=C3)C2CCC1)C

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isomeric SMILES

C[C@@H]1CC=C2[C@H](CCC[C@]2(C)C(=O)O)[C@@]1(C)CCc1ccoc1

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found in taxon

Koanophyllon conglobatum

1 reference

stated in

Diterpenes from Koanophyllon species

Identifiers

InChI

InChI=1S/C20H28O3/c1-14-6-7-17-16(5-4-10-20(17,3)18(21)22)19(14,2)11-8-15-9-12-23-13-15/h7,9,12-14,16H,4-6,8,10-11H2,1-3H3,(H,21,22)/t14-,16+,19+,20+/m1/s1

0 references

InChIKey

CEDSJSACEUAMJL-VTCANLHHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CEDSJSACEUAMJL-VTCANLHHSA-N

(Q104955571)

(1S,4aR,5S,6R)-5-[2-(furan-3-yl)ethyl]-1,5,6-trimethyl-2,3,4,4a,6,7-hexahydronaphthalene-1-carboxylic acid

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