(Q105198437)

English

(1S,3S,8R,10R)-8-benzoyl-3-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-9,9-dimethyl-6,10-bis(3-methylbut-2-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

586.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₀O₅

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canonical SMILES

O=C(C=1C=CC=CC1)C23C(=O)C(=C4OC(CC4(C2=O)CC(CC=C(C)C)C3(C)C)C(O)(C)CCC=C(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@](C)(O)[C@@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c4ccccc4)(C(=O)C(CC=C(C)C)=C2O1)C3=O

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found in taxon

Hypericum sampsonii

1 reference

stated in

Sampsoniones A–M, a Unique Family of Caged Polyprenylated Benzoylphloroglucinol Derivatives, from Hypericum sampsonii

Identifiers

InChI

InChI=1S/C38H50O5/c1-24(2)14-13-21-36(9,42)30-23-37-22-28(19-17-25(3)4)35(7,8)38(34(37)41,31(39)27-15-11-10-12-16-27)32(40)29(33(37)43-30)20-18-26(5)6/h10-12,14-18,28,30,42H,13,19-23H2,1-9H3/t28-,30+,36+,37+,38+/m1/s1

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InChIKey

ORTSQUDXKWUIFJ-SGQZRTPYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ORTSQUDXKWUIFJ-SGQZRTPYSA-N

(Q105198437)

(1S,3S,8R,10R)-8-benzoyl-3-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-9,9-dimethyl-6,10-bis(3-methylbut-2-enyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

Statements

Identifiers

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