(Q105306538)

English

[(1R,2S,4S,5R,8S,9S,10Z,12S)-11-(acetyloxymethyl)-5-hydroxy-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-6,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

imidazole alkaloid

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eunicellane diterpenoid

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mass

540.28355162 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₀N₂O₇

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canonical SMILES

O=C(OC1CC2C(C=C(COC(=O)C)C3(OC)OC1(C=C3)C)C(C=CC2(O)C)C(C)C)C=CC=4N=CN(C4)C

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isomeric SMILES

CO[C@@]12C=C[C@@](C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)cn1)C[C@H]1[C@H](/C=C\2COC(C)=O)[C@@H](C(C)C)C=C[C@@]1(C)O

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found in taxon

Erythropodium caribaeorum

1 reference

stated in

Antimitotic diterpenes from Erythropodium caribaeorum test pharmacophore models for microtubule stabilization

Identifiers

InChI

InChI=1S/C30H40N2O7/c1-19(2)23-10-11-28(4,35)25-15-26(38-27(34)9-8-22-16-32(6)18-31-22)29(5)12-13-30(36-7,39-29)21(14-24(23)25)17-37-20(3)33/h8-14,16,18-19,23-26,35H,15,17H2,1-7H3/b9-8+,21-14-/t23-,24-,25+,26+,28-,29-,30+/m1/s1

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InChIKey

WIUSFZNUZWLLDZ-GGDXHMQMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WIUSFZNUZWLLDZ-GGDXHMQMSA-N

(Q105306538)

[(1R,2S,4S,5R,8S,9S,10Z,12S)-11-(acetyloxymethyl)-5-hydroxy-12-methoxy-1,5-dimethyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-6,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate

Statements

Identifiers

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