(Q105252742)

English

(4aS,7R,8S,8aR)-8-[2-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(1S,2R,4aS,8aR)-1-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-1,2,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

1-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-1,2,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aS,7R,8R,8aS)-8-[2-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(4aS,7R,8S,8aR)-8-[2-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C1OC(O)C(=C1)CCC2(C)C(C)CCC3(C(=O)O)C(=CCCC32)C

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isomeric SMILES

CC1=CCC[C@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)O[C@H]1O

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found in taxon

Hoffmannia strigillosa

1 reference

stated in

Diterpenes from Hoffmannia strigillosa

Identifiers

InChI

InChI=1S/C20H28O5/c1-12-7-10-20(18(23)24)13(2)5-4-6-15(20)19(12,3)9-8-14-11-16(21)25-17(14)22/h5,11-12,15,17,22H,4,6-10H2,1-3H3,(H,23,24)/t12-,15-,17-,19+,20-/m1/s1

0 references

InChIKey

SGZSEXKHICPUPC-UDKFGWLYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SGZSEXKHICPUPC-UDKFGWLYSA-N

(Q105252742)

(4aS,7R,8S,8aR)-8-[2-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid

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