(Q105159456)

English

[(1S,2S,3S,4R,5R,7S,8S,9S,10S,11R,14S)-2,7,14-triacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2,7,14-Triacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

712.309491596 dalton

1 reference

1 reference

C₃₈H₄₈O₁₃

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canonical SMILES

O=C(OC1C2(OCC3(C(OC(=O)C)C=CC(C23)C(OC(=O)C)(C)C)C(OC(=O)C)C4C(OC(=O)CC)C(C)CC14OC(=O)C)C)C=5C=CC=CC5

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isomeric SMILES

CCC(=O)O[C@H]1[C@H]2[C@H](OC(C)=O)[C@]34CO[C@](C)([C@H](OC(=O)c5ccccc5)[C@]2(OC(C)=O)C[C@H]1C)[C@H]3[C@H](C(C)(C)OC(C)=O)C=C[C@@H]4OC(C)=O

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found in taxon

Euphorbia prolifera

1 reference

stated in

New Cytotoxic Myrsinane-Type Diterpenes fromEuphorbia prolifera

Identifiers

InChI

InChI=1S/C38H48O13/c1-10-28(43)48-30-20(2)18-38(51-24(6)42)29(30)32(47-22(4)40)37-19-45-36(9,34(38)49-33(44)25-14-12-11-13-15-25)31(37)26(35(7,8)50-23(5)41)16-17-27(37)46-21(3)39/h11-17,20,26-27,29-32,34H,10,18-19H2,1-9H3/t20-,26-,27+,29+,30-,31-,32+,34+,36+,37+,38+/m1/s1

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InChIKey

LYOFMZYFNGVKDZ-PTXACTCYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LYOFMZYFNGVKDZ-PTXACTCYSA-N

(Q105159456)

[(1S,2S,3S,4R,5R,7S,8S,9S,10S,11R,14S)-2,7,14-triacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate

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