(Q105176225)

English

2-[(E)-4-[(1R,3'S,4aR,7aR)-3'-hydroxy-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3-yl]-3-methylbut-2-enyl]-6-methylbenzene-1,4-diol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[(2E)-4-{4'-hydroxy-4a,5',5',7a-tetramethyl-6,7-dihydro-5H-spiro[cyclopenta[c]pyran-1,2'-oxolan]-3-yl}-3-methylbut-2-en-1-yl]-6-methylbenzene-1,4-diol

1 reference

based on heuristic

inferred from SMILES

2-(4-{4'-hydroxy-4a,5',5',7a-tetramethyl-6,7-dihydro-5H-spiro[cyclopenta[c]pyran-1,2'-oxolan]-3-yl}-3-methylbut-2-en-1-yl)-6-methylbenzene-1,4-diol

1 reference

based on heuristic

inferred from SMILES

mass

442.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-[(E)-4-[(1R,3'R,4aS,7aR)-3'-hydroxy-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3-yl]-3-methylbut-2-enyl]-6-methylbenzene-1,4-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₈O₅

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canonical SMILES

OC=1C=C(C(O)=C(C1)CC=C(C)CC=2OC3(OC(C)(C)C(O)C3)C4(C)CCCC4(C2)C)C

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isomeric SMILES

C/C(=C\Cc1cc(O)cc(C)c1O)CC1=C[C@@]2(C)CCC[C@@]2(C)[C@]2(C[C@H](O)C(C)(C)O2)O1

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found in taxon

Cystoseira amentacea var. stricta

1 reference

stated in

Novel metabolites from the marine genus cystoseira - application of two-dimensional 1H-13C correlation to the structure elucidation

Cystophora fibrosa

1 reference

stated in

Tetraprenyltoluquinols from the brown alga Cystophora fibrosa.

Identifiers

InChI

InChI=1S/C27H38O5/c1-17(8-9-19-14-20(28)13-18(2)23(19)30)12-21-15-25(5)10-7-11-26(25,6)27(31-21)16-22(29)24(3,4)32-27/h8,13-15,22,28-30H,7,9-12,16H2,1-6H3/b17-8+/t22-,25+,26+,27+/m0/s1

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InChIKey

NAGGUTLYHIBWFX-YVIGTYCOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105176225)

2-[(E)-4-[(1R,3'S,4aR,7aR)-3'-hydroxy-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3-yl]-3-methylbut-2-enyl]-6-methylbenzene-1,4-diol

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