(Q104944976)

English

[(1S,2R,5R,6S,9S,10S,13S)-5,13-dihydroxy-2,6,10-trimethyl-11-oxo-8-oxatetracyclo[7.3.1.01,5.06,10]tridecan-9-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5,13-Dihydroxy-2,6,10-trimethyl-11-oxo-8-oxatetracyclo[7.3.1.01,5.06,10]tridecan-9-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

(1S,2R,5R,6S,10S,13S)-5,13-dihydroxy-2,6,10-trimethyl-11-oxo-8-oxatetracyclo[7.3.1.0¹,⁵.0⁶,¹⁰]tridecan-9-yl benzoate

1 reference

1 reference

386.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,5S,6S,9S,10S,13R)-5,13-dihydroxy-2,6,10-trimethyl-11-oxo-8-oxatetracyclo[7.3.1.01,5.06,10]tridecan-9-yl] benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆O₆

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canonical SMILES

O=C(OC12OCC3(C)C4(O)CCC(C)C4(CC(=O)C13C)C2O)C=5C=CC=CC5

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isomeric SMILES

C[C@@H]1CC[C@]2(O)[C@@]13CC(=O)[C@@]1(C)[C@@](OC(=O)c4ccccc4)(OC[C@]12C)[C@H]3O

0 references

found in taxon

Illicium merrillianum

1 reference

stated in

Three new sesquiterpene lactones from the pericarps of Illicium merrillianum

Identifiers

InChI

InChI=1S/C22H26O6/c1-13-9-10-21(26)18(2)12-27-22(28-16(24)14-7-5-4-6-8-14)17(25)20(13,21)11-15(23)19(18,22)3/h4-8,13,17,25-26H,9-12H2,1-3H3/t13-,17+,18-,19-,20+,21-,22-/m1/s1

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InChIKey

BRRTVYWNYBLCAX-MZUDGRTHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BRRTVYWNYBLCAX-MZUDGRTHSA-N

(Q104944976)

[(1S,2R,5R,6S,9S,10S,13S)-5,13-dihydroxy-2,6,10-trimethyl-11-oxo-8-oxatetracyclo[7.3.1.01,5.06,10]tridecan-9-yl] benzoate

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Identifiers

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