(Q105371894)

English

(1S,4S,8R,10S,11R)-4-(2-hydroxypropan-2-yl)-11-methyl-1-[(2R)-2-methylbutanoyl]-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

chemical compound

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instance of

type of chemical entity

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subclass of

4-(2-Hydroxypropan-2-yl)-11-methyl-1-(2-methylbutanoyl)-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

1 reference

based on heuristic

inferred from SMILES

mass

566.397124828 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₄O₅

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canonical SMILES

O=C1C2=C(OC(C2)C(O)(C)C)C3(C(=O)C(C)CC)C(=O)C1(CC=C(C)C)CC(CC=C(C)C)C3(C)CCC=C(C)C

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isomeric SMILES

CC[C@@H](C)C(=O)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C1=C2O[C@H](C(C)(C)O)C1

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found in taxon

Hypericum perforatum

1 reference

stated in

Prenylated Phloroglucinol Derivatives from Hypericum perforatum var. angustifolium

Identifiers

InChI

InChI=1S/C36H54O5/c1-12-25(8)29(37)36-31-27(20-28(41-31)33(9,10)40)30(38)35(32(36)39,19-17-24(6)7)21-26(16-15-23(4)5)34(36,11)18-13-14-22(2)3/h14-15,17,25-26,28,40H,12-13,16,18-21H2,1-11H3/t25-,26+,28+,34-,35-,36+/m1/s1

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InChIKey

ZCZNXHRSIAYBGV-RSAFWIOBSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105371894)

(1S,4S,8R,10S,11R)-4-(2-hydroxypropan-2-yl)-11-methyl-1-[(2R)-2-methylbutanoyl]-8,10-bis(3-methylbut-2-enyl)-11-(4-methylpent-3-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

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