(Q105341413)

English

[(1R,3R,4S,6R,8R,9S,10S,12R,13R,14S,15S)-1,10,12,14-tetraacetyloxy-9-hydroxy-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

pyridine alkaloids

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jatrophane diterpenoid

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mass

673.273440436 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₃NO₁₃

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canonical SMILES

O=C(OC1C(O)C(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@@H](O)[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/C34H43NO13/c1-15-13-34(48-21(7)39)23(25(15)43-18(4)36)26(44-19(5)37)16(2)27(45-20(6)38)24(40)30(47-32(42)22-11-10-12-35-14-22)33(8,9)31-28(46-31)17(3)29(34)41/h10-12,14-15,17,23-28,30-31,40H,2,13H2,1,3-9H3/t15-,17+,23+,24+,25-,26-,27-,28-,30-,31-,34+/m0/s1

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InChIKey

XTAPUWHSYCHFJM-UFWBAOGOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XTAPUWHSYCHFJM-UFWBAOGOSA-N

(Q105341413)

[(1R,3R,4S,6R,8R,9S,10S,12R,13R,14S,15S)-1,10,12,14-tetraacetyloxy-9-hydroxy-3,7,7,15-tetramethyl-11-methylidene-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-8-yl] pyridine-3-carboxylate

Statements

Identifiers

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