(Q105289487)

English

methyl (1S,2E,4R,5S,6R,9S,11R,12R)-1,6-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[(2Z)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,7,13-triene-2-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 1,6-dihydroxy-8,12-dimethyl-11-[3-(1-methylimidazol-4-yl)prop-2-enoyloxy]-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-triene-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

512.252251492 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,2E,4R,5S,6R,9S,11R,12R)-1,6-dihydroxy-8,12-dimethyl-11-[(E)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy-5-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-2,7,13-triene-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₈H₃₆N₂O₇

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canonical SMILES

O=C(OC1CC2C(=CC(O)C(C2C=C(C(=O)OC)C3(O)OC1(C=C3)C)C(C)C)C)C=CC=4N=CN(C4)C

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isomeric SMILES

COC(=O)/C1=C/[C@@H]2[C@H](C[C@@H](OC(=O)/C=C\c3cn(C)cn3)[C@@]3(C)C=C[C@]1(O)O3)C(C)=C[C@H](O)[C@H]2C(C)C

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found in taxon

Sarcodictyon roseum

1 reference

stated in

Isolation from the Mediterranean Stolonifern CoralSarcodictyon roseum of Sarcodictyin C, D, E, and F, novel diterpenodic alcohols esterified by (E)- or (Z)-N(1)-methylurocanic acid. Failure of the carbon-skeleton type as a classification criterion

Rolandia coralloides

1 reference

stated in

Isolation from the Mediterranean Stolonifern CoralSarcodictyon roseum of Sarcodictyin C, D, E, and F, novel diterpenodic alcohols esterified by (E)- or (Z)-N(1)-methylurocanic acid. Failure of the carbon-skeleton type as a classification criterion

Identifiers

InChI

InChI=1S/C28H36N2O7/c1-16(2)25-20-12-21(26(33)35-6)28(34)10-9-27(4,37-28)23(13-19(20)17(3)11-22(25)31)36-24(32)8-7-18-14-30(5)15-29-18/h7-12,14-16,19-20,22-23,25,31,34H,13H2,1-6H3/b8-7-,21-12-/t19-,20-,22+,23-,25+,27-,28+/m1/s1

(Q105289487)

methyl (1S,2E,4R,5S,6R,9S,11R,12R)-1,6-dihydroxy-5-isopropyl-8,12-dimethyl-11-{[(2Z)-3-(1-methylimidazol-4-yl)prop-2-enoyl]oxy}-15-oxatricyclo[10.2.1.0⁴,⁹]pentadeca-2,7,13-triene-2-carboxylate

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