(Q105183885)

English

(1S,2S,5R,7R,9R,11S)-9-benzoyl-11-[(2E,6E)-3,8-dimethylnona-2,6-dienyl]-4,4,8,8-tetramethyl-2-(2-methylprop-1-enyl)-3-oxatetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

598.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2S,5R,7R,9R,11S)-9-benzoyl-11-[(6E)-3,8-dimethylnona-2,6-dienyl]-4,4,8,8-tetramethyl-2-(2-methylprop-1-enyl)-3-oxatetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₉H₅₀O₅

0 references

canonical SMILES

O=C(C=1C=CC=CC1)C23C(=O)C4(C(=O)C5(C2=O)C(OC(C)(C)C5CC(C4)C3(C)C)C=C(C)C)CC=C(C)CCC=CC(C)C

0 references

isomeric SMILES

CC(C)=C[C@@H]1OC(C)(C)[C@@H]2C[C@@H]3C[C@@]4(C/C=C(\C)CC/C=C/C(C)C)C(=O)[C@@]12C(=O)[C@](C(=O)c1ccccc1)(C4=O)C3(C)C

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found in taxon

Hypericum henryi

1 reference

stated in

Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi

Identifiers

InChI

InChI=1S/C39H50O5/c1-24(2)15-13-14-16-26(5)19-20-37-23-28-22-29-36(8,9)44-30(21-25(3)4)38(29,32(37)41)34(43)39(33(37)42,35(28,6)7)31(40)27-17-11-10-12-18-27/h10-13,15,17-19,21,24,28-30H,14,16,20,22-23H2,1-9H3/b15-13+,26-19+/t28-,29+,30+,37+,38+,39+/m1/s1

0 references

InChIKey

NQIJROSKTOJIMN-KUNHJYBOSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

NQIJROSKTOJIMN-KUNHJYBOSA-N

1 reference

(Q105183885)

(1S,2S,5R,7R,9R,11S)-9-benzoyl-11-[(2E,6E)-3,8-dimethylnona-2,6-dienyl]-4,4,8,8-tetramethyl-2-(2-methylprop-1-enyl)-3-oxatetracyclo[7.3.1.17,11.01,5]tetradecane-10,12,13-trione

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