(Q105187157)

English

[(1S,2S,3S,4S,5S,7R,9S,12R,15R,16R)-15-acetyloxy-1-(acetyloxymethyl)-4,7-dihydroxy-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[15-Acetyloxy-1-(acetyloxymethyl)-4,7-dihydroxy-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

570.246497416 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₈O₁₀

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canonical SMILES

O=C(OC1C2C(O)C(C)CC2(O)C(=O)C3(OC(C)(C)C4C=CC(OC(=O)C)C1(COC(=O)C)C43)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](O)[C@@H](C)C[C@]3(O)C(=O)[C@@]3(C)OC(C)(C)[C@H](C=C[C@H]1OC(C)=O)[C@@H]32

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found in taxon

Euphorbia cheiradenia

1 reference

stated in

Chemistry and biological activity of secondary metabolites in Euphorbia from Iran

Identifiers

InChI

InChI=1S/C31H38O10/c1-16-14-31(37)22(23(16)34)25(40-26(35)19-10-8-7-9-11-19)30(15-38-17(2)32)21(39-18(3)33)13-12-20-24(30)29(6,27(31)36)41-28(20,4)5/h7-13,16,20-25,34,37H,14-15H2,1-6H3/t16-,20+,21+,22-,23-,24-,25-,29-,30-,31+/m0/s1

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InChIKey

NXFUJJUANCRESG-OOPBISBOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NXFUJJUANCRESG-OOPBISBOSA-N

(Q105187157)

[(1S,2S,3S,4S,5S,7R,9S,12R,15R,16R)-15-acetyloxy-1-(acetyloxymethyl)-4,7-dihydroxy-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate

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