(Q105386892)

English

(1R,6S,9R,10S,13S)-6-(2-hydroxypropan-2-yl)-9-methyl-10-(2-methylbutanoyl)-1,3,13-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione

group of stereoisomers with the chemical formula C₃₆H₅₄O₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

566.397124828 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₄O₅

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canonical SMILES

O=C1C(=C2OC(CCC3(C)C(CC=C(C)C)CC1(C(=O)C23C(=O)C(C)CC)CC=C(C)C)C(O)(C)C)CC=C(C)C

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isomeric SMILES

CCC(C)C(=O)[C@]12C(=O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@]1(C)CC[C@@H](C(C)(C)O)OC2=C(CC=C(C)C)C3=O

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found in taxon

Hypericum henryi

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stated in

Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi

Identifiers

InChI

InChI=1S/C36H54O5/c1-12-25(8)29(37)36-31-27(16-14-23(4)5)30(38)35(32(36)39,20-17-24(6)7)21-26(15-13-22(2)3)34(36,11)19-18-28(41-31)33(9,10)40/h13-14,17,25-26,28,40H,12,15-16,18-21H2,1-11H3/t25?,26-,28-,34+,35+,36-/m0/s1

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InChIKey

ZZLKTEYLJWEXBS-DPAIRFDSSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105386892)

(1R,6S,9R,10S,13S)-6-(2-hydroxypropan-2-yl)-9-methyl-10-(2-methylbutanoyl)-1,3,13-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione

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Identifiers

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