(Q105006629)

English

[(1R,2R,3R,4S,5S,7R,8R,9S,10R,11S,13S,15R,16R)-4,7,8,16-tetraacetyloxy-2-[(2R)-2-hydroxypropanoyl]oxy-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadecan-15-yl] 3-methylbut-3-enoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[4,7,8,16-Tetraacetyloxy-2-(2-hydroxypropanoyloxy)-5,9,12,12-tetramethyl-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadecan-15-yl] 3-methylbut-3-enoate

1 reference

based on heuristic

inferred from SMILES

706.32005628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₀O₁₄

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canonical SMILES

O=C(OC1OC2(C)C(OC(=O)C)C3(OC(=O)C)CC(C)C(OC(=O)C)C3C(OC(=O)C(O)C)C14C(OC(=O)CC(=C)C)CC5C(C24)C5(C)C)C

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isomeric SMILES

C=C(C)CC(=O)O[C@@H]1C[C@H]2[C@@H]([C@H]3[C@]4(C)O[C@H](OC(C)=O)[C@@]13[C@H](OC(=O)[C@@H](C)O)[C@H]1[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@@H]4OC(C)=O)C2(C)C

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Euphorbia aleppica

1 reference

Pentacyclic diterpene esters from Euphorbia aleppica

Identifiers

InChI=1S/C36H50O14/c1-15(2)12-24(42)47-23-13-22-25(33(22,9)10)28-34(11)31(45-19(6)39)35(49-21(8)41)14-16(3)27(44-18(5)38)26(35)29(48-30(43)17(4)37)36(23,28)32(50-34)46-20(7)40/h16-17,22-23,25-29,31-32,37H,1,12-14H2,2-11H3/t16-,17+,22-,23+,25-,26+,27-,28-,29+,31+,32-,34-,35+,36-/m0/s1

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GDAYLEAQHVQBCO-JLEZXTOJSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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