(Q105304794)

English

[(2R,4R,4aS,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,4H,4aH,5H,7H,7aH-cyclobuta[e]inden-2-yl 2,4-dihydroxy-6-methylbenzoate

1 reference

based on heuristic

inferred from SMILES

mass

402.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₀O₆

0 references

canonical SMILES

O=C(OC1C2=C(CO)C(O)C3CC(C)(C)CC3C2(C)C1)C=4C(O)=CC(O)=CC4C

0 references

isomeric SMILES

Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)C1=C(CO)[C@H](O)[C@H]1CC(C)(C)C[C@@H]12

0 references

found in taxon

Armillaria tabescens

1 reference

stated in

Sesquiterpene aryl esters from Armillaria tabescens

Desarmillaria tabescens

1 reference

stated in

Sesquiterpene aryl esters from Armillaria tabescens

Identifiers

InChI

InChI=1S/C23H30O6/c1-11-5-12(25)6-16(26)18(11)21(28)29-17-9-23(4)15-8-22(2,3)7-13(15)20(27)14(10-24)19(17)23/h5-6,13,15,17,20,24-27H,7-10H2,1-4H3/t13-,15-,17+,20+,23+/m0/s1

0 references

InChIKey

WGPPXYYHVRWVLO-JUBMYLCFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WGPPXYYHVRWVLO-JUBMYLCFSA-N

(Q105304794)

[(2R,4R,4aS,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate

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