(Q105345514)

English

[(1R,3R,4R,6R,8R,10R,12R,13R,14S,15S)-1,10,12,14-tetraacetyloxy-3,7,7,15-tetramethyl-11-methylidene-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-8-yl] pyridine-3-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1,10,12,14-Tetraacetyloxy-3,7,7,15-tetramethyl-11-methylidene-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-8-yl) pyridine-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

657.278525816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₃NO₁₂

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canonical SMILES

O=C(OC1CC(OC(=O)C)C(=C)C(OC(=O)C)C2C(OC(=O)C)C(C)CC2(OC(=O)C)C(=O)C(C)C3OC3C1(C)C)C=4C=NC=CC4

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isomeric SMILES

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

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found in taxon

Euphorbia kansui

1 reference

stated in

Activity of macrocyclic jatrophane diterpenes from Euphorbia kansui in a TrkA fibroblast survival assay

Identifiers

InChI

InChI=1S/C34H43NO12/c1-16-14-34(47-22(7)39)26(27(16)43-20(5)37)28(44-21(6)38)17(2)24(42-19(4)36)13-25(45-32(41)23-11-10-12-35-15-23)33(8,9)31-29(46-31)18(3)30(34)40/h10-12,15-16,18,24-29,31H,2,13-14H2,1,3-9H3/t16-,18+,24+,25+,26+,27-,28-,29+,31-,34+/m0/s1

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InChIKey

YAQJUDMDTLVWQD-QEIDTUIESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YAQJUDMDTLVWQD-QEIDTUIESA-N

1 reference

(Q105345514)

[(1R,3R,4R,6R,8R,10R,12R,13R,14S,15S)-1,10,12,14-tetraacetyloxy-3,7,7,15-tetramethyl-11-methylidene-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-8-yl] pyridine-3-carboxylate

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Identifiers

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