(Q105135418)

English

[(2R,2aR,3R,4S,4aR,7aR,7bR)-2a,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2a,4-Dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate

1 reference

based on heuristic

inferred from SMILES

mass

420.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aR,3R,4S,4aR,7aS,7bR)-decahydro-2a,4-dihydroxy-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

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₂O₇

0 references

canonical SMILES

O=C(OC1CC2(C)C3CC(C)(C)CC3C(O)C(CO)C12O)C=4C(O)=CC(O)=CC4C

0 references

isomeric SMILES

Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3[C@H](O)[C@@H](CO)[C@]12O

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/C23H32O7/c1-11-5-12(25)6-16(26)18(11)20(28)30-17-9-22(4)14-8-21(2,3)7-13(14)19(27)15(10-24)23(17,22)29/h5-6,13-15,17,19,24-27,29H,7-10H2,1-4H3/t13-,14-,15-,17-,19+,22-,23+/m1/s1

0 references

InChIKey

JUUSWGGXNLLISZ-QQTLTMDHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JUUSWGGXNLLISZ-QQTLTMDHSA-N

(Q105135418)

[(2R,2aR,3R,4S,4aR,7aR,7bR)-2a,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate

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