(Q104984209)

English

[(1R,2S,6S,7S,8R,10S,11R,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (2E,4E)-5-phenylpenta-2,4-dienoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

654.246497416 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₃₈O₁₀

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canonical SMILES

O=C(OC1C(C)C23OC4(OC(C3C5OC5(CO)C(O)C6(O)C(=O)C(=CC62)C)C1(O4)C(=C)C)C=7C=CC=CC7)C=CC=CC=8C=CC=CC8

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isomeric SMILES

C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1

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found in taxon

Daphne mezereum

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stated in

The structure of mezerein, a major toxic principle of Daphne mezereum L.

Identifiers

InChI

InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26+,28-,30-,31+,32-,33-,34+,35-,36+,37+,38-/m1/s1

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InChIKey

DLEDLHFNQDHEOJ-ALXCPHKJSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104984209)

[(1R,2S,6S,7S,8R,10S,11R,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (2E,4E)-5-phenylpenta-2,4-dienoate

Statements

Identifiers

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