(Q105112419)

English

[(1R,2R,3R,4S,5S,7R,8R,9R,11S,16S)-1,8,11,16-tetraacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate

group of stereoisomers with the chemical formula C₃₉H₄₈O₁₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

772.294235456 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₄₈O₁₆

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canonical SMILES

O=C(OC1C(C)CC2(O)C(OC(=O)C)C3(C)C(OC(=O)C)C(OC(=O)C)(CC4C(=O)C(C)(C)C(OC(=O)C)C43)C(OC(=O)COC(=O)C)C12)C=5C=CC=CC5

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isomeric SMILES

CC(=O)OCC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@@]2(C)C3C(C[C@]1(OC(C)=O)[C@H]2OC(C)=O)C(=O)C(C)(C)[C@H]3OC(C)=O

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found in taxon

Euphorbia paralias

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stated in

Molluscicidal and anti-feedant activities of diterpenes from Euphorbia paralias L.

Identifiers

InChI

InChI=1S/C39H48O16/c1-18-15-38(48)28(29(18)54-33(47)24-13-11-10-12-14-24)32(53-26(45)17-49-19(2)40)39(55-23(6)44)16-25-27(31(50-20(3)41)36(7,8)30(25)46)37(9,34(38)51-21(4)42)35(39)52-22(5)43/h10-14,18,25,27-29,31-32,34-35,48H,15-17H2,1-9H3/t18-,25?,27?,28+,29-,31-,32+,34+,35-,37+,38+,39+/m0/s1

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InChIKey

IFVZGQVJBOEHFG-AJICLSQGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFVZGQVJBOEHFG-AJICLSQGSA-N

(Q105112419)

[(1R,2R,3R,4S,5S,7R,8R,9R,11S,16S)-1,8,11,16-tetraacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate

Statements

Identifiers

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