(Q105300456)

English

methyl (1S,2E,4R,5R,8R,9S,11R,12R)-1,8-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-2,6,13-triene-2-carboxylate

chemical compound

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type of chemical entity

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subclass of

Methyl 1,8-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-2,6,13-triene-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

512.252251492 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆N₂O₇

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canonical SMILES

O=C(OC1CC2C(C=C(C(=O)OC)C3(O)OC1(C=C3)C)C(C=CC2(O)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)C)C=C[C@@](C)(O)[C@H]2C[C@@H](OC(=O)/C=C/c2cn(C)cn2)[C@@]2(C)C=C[C@]1(O)O2

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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/c1-17(2)19-9-10-26(3,33)21-14-23(36-24(31)8-7-18-15-30(5)16-29-18)27(4)11-12-28(34,37-27)22(13-20(19)21)25(32)35-6/h7-13,15-17,19-21,23,33-34H,14H2,1-6H3/b8-7+,22-13-/t19-,20-,21-,23+,26+,27+,28-/m0/s1

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InChIKey

WASTUEJXHKCTKG-HHZDSUKGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WASTUEJXHKCTKG-HHZDSUKGSA-N

(Q105300456)

methyl (1S,2E,4R,5R,8R,9S,11R,12R)-1,8-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-2,6,13-triene-2-carboxylate

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Identifiers

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