(Q104909625)

English

[(1S,3E,5S,7S,9S,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,14-dimethyl-10-methylidene-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] pyridine-3-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1,11-Diacetyloxy-13-benzoyloxy-3,14-dimethyl-10-methylidene-9-tricyclo[10.3.0.05,7]pentadec-3-enyl) pyridine-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

601.267567208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₃₉NO₈

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canonical SMILES

O=C(OC1C(=C)C(OC(=O)C)C2C(OC(=O)C=3C=CC=CC3)C(C)CC2(OC(=O)C)CC(=CC4CC4C1)C)C=5C=NC=CC5

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isomeric SMILES

C=C1[C@@H](OC(=O)c2cccnc2)C[C@@H]2C[C@@H]2/C=C(\C)C[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O

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found in taxon

Euphorbia lathyris

1 reference

stated in

Lathyrane diterpenes from Euphorbia lathyris

Identifiers

InChI

InChI=1S/C35H39NO8/c1-20-14-27-15-28(27)16-29(42-34(40)26-12-9-13-36-19-26)22(3)32(41-23(4)37)30-31(43-33(39)25-10-7-6-8-11-25)21(2)18-35(30,17-20)44-24(5)38/h6-14,19,21,27-32H,3,15-18H2,1-2,4-5H3/b20-14+/t21-,27-,28-,29-,30+,31-,32-,35+/m0/s1

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InChIKey

ADJMLUIEQKXKBO-TWZSNYNYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ADJMLUIEQKXKBO-TWZSNYNYSA-N

(Q104909625)

[(1S,3E,5S,7S,9S,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,14-dimethyl-10-methylidene-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] pyridine-3-carboxylate

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Identifiers

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