(Q105381246)

English

(12R,15S,16R,17R)-16-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.02,7.09,18.012,17]nonadeca-1,3,7,9(18)-tetraen-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(12R,16R,17S)-16-[(1E)-3-hydroperoxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one

1 reference

based on heuristic

inferred from SMILES

16-(3-Hydroperoxy-3-methylbut-1-enyl)-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.02,7.09,18.012,17]nonadeca-1,3,7,9(18)-tetraen-5-one

1 reference

based on heuristic

inferred from SMILES

mass

412.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-3,3abeta,4,5-Tetrahydro-3alpha-[(E)-3-hydroperoxy-3-methyl-1-butenyl]-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3',2'-g][1]benzopyran-9-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₈O₆

0 references

canonical SMILES

O=C1OC2=CC=3OC(C)(C)C4CCC5(OC(=C2C=C1)C3C4C5C=CC(OO)(C)C)C

0 references

isomeric SMILES

CC(C)(/C=C/[C@@H]1[C@@H]2c3c4cc5oc(=O)ccc5c3O[C@@]1(C)CC[C@H]2C(C)(C)O4)OO

0 references

found in taxon

Philotheca myoporoides

2 references

stated in

Pyranocoumarins as chemotaxonomic markers in Eriostemon coccineus and Philotheca citrina

stated in

Sesquiterpenyl coumarins and geranyl benzaldehyde derivatives from the aerial parts of Eriostemon myoporoides

Identifiers

InChI

InChI=1S/C24H28O6/c1-22(2,30-26)10-8-15-19-14-9-11-24(15,5)29-21-13-6-7-18(25)27-16(13)12-17(20(19)21)28-23(14,3)4/h6-8,10,12,14-15,19,26H,9,11H2,1-5H3/b10-8+/t14-,15-,19-,24+/m1/s1

0 references

InChIKey

ZPVBIQWUZYXRCN-SCYXOGRJSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105381246)

(12R,15S,16R,17R)-16-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.02,7.09,18.012,17]nonadeca-1,3,7,9(18)-tetraen-5-one

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Identifiers

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