(Q105131616)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C(O)C1=CCCC2C1(C)CCC(C)C2(C)CCC3=CC(=O)OC3O

0 references

isomeric SMILES

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

0 references

found in taxon

Scapania nemorea

1 reference

stated in

cis-Clerodandes from axenic cultures of the liverwort Scapania nemorea1Publication Nr. 133 in the series of “Arbeitskreis Chemie und Biologie der Moose”. For part 132, see Cullmann & Becker, in press.1

Identifiers

InChI

InChI=1S/C20H28O5/c1-12-7-9-20(3)14(17(22)23)5-4-6-15(20)19(12,2)10-8-13-11-16(21)25-18(13)24/h5,11-12,15,18,24H,4,6-10H2,1-3H3,(H,22,23)/t12-,15-,18-,19+,20-/m0/s1

0 references

InChIKey

JMRXLJIRIMJFBW-RBZAMRJTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JMRXLJIRIMJFBW-RBZAMRJTSA-N

(Q105131616)

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

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Identifiers

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