(Q105249416)

English

(1R,3R,4R,5S,7R,8S)-8-hydroxy-4,7-dimethyl-1,5-bis(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8-Hydroxy-4,7-dimethyl-1,5-bis(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione

1 reference

based on heuristic

inferred from SMILES

mass

498.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₆O₅

0 references

canonical SMILES

O=C(C(C)C)C12C(=O)C3(OC1(O)C(C3=O)(C)CC(CC=C(C)C)C2(C)CCC=C(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(C)C(=O)[C@@]3(CC=C(C)C)O[C@]2(O)[C@]1(C(=O)C(C)C)C3=O

0 references

found in taxon

Hypericum scabrum

2 references

stated in

Prenylated benzophenones and xanthones from Hypericum scabrum.

stated in

Prenylated benzophenones and xanthones from Hypericum scabrum.

Identifiers

InChI

InChI=1S/C31H46O5/c1-19(2)12-11-16-27(9)23(14-13-20(3)4)18-28(10)25(33)29(17-15-21(5)6)26(34)30(27,24(32)22(7)8)31(28,35)36-29/h12-13,15,22-23,35H,11,14,16-18H2,1-10H3/t23-,27+,28+,29+,30+,31-/m0/s1

0 references

InChIKey

SBGHJZAAIGGLGH-SPJBSYPASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SBGHJZAAIGGLGH-SPJBSYPASA-N

1 reference

(Q105249416)

(1R,3R,4R,5S,7R,8S)-8-hydroxy-4,7-dimethyl-1,5-bis(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione

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