(Q104995652)

English

(1S,3R,5R,7R,9S,11R)-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,4,8,8-tetramethyl-9-(2-methylpropanoyl)-3-propan-2-yltetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

11-(3,7-Dimethylocta-2,6-dienyl)-4,4,8,8-tetramethyl-9-(2-methylpropanoyl)-3-propan-2-yltetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

1 reference

based on heuristic

inferred from SMILES

mass

536.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₄

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canonical SMILES

O=C(C(C)C)C12C(=O)C3(C(=O)C4(C1=O)CC(C(C)C)C(C)(C)C4CC(C3)C2(C)C)CC=C(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3C[C@@H]4C(C)(C)[C@@H](C(C)C)C[C@]4(C1=O)C(=O)[C@@](C(=O)C(C)C)(C2=O)C3(C)C

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found in taxon

Hypericum sampsonii

1 reference

stated in

Polyprenylated Phloroglucinol Derivatives from Hypericum sampsonii

Identifiers

InChI

InChI=1S/C35H52O4/c1-20(2)13-12-14-23(7)15-16-33-18-24-17-26-31(8,9)25(21(3)4)19-34(26,28(33)37)30(39)35(29(33)38,32(24,10)11)27(36)22(5)6/h13,15,21-22,24-26H,12,14,16-19H2,1-11H3/b23-15+/t24-,25-,26-,33-,34+,35-/m1/s1

0 references

InChIKey

FIEJFWJVFIBJNB-MXGYTFSJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FIEJFWJVFIBJNB-MXGYTFSJSA-N

(Q104995652)

(1S,3R,5R,7R,9S,11R)-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,4,8,8-tetramethyl-9-(2-methylpropanoyl)-3-propan-2-yltetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

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