(Q104967957)

English

[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,5,7,12-tetraacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5,6,7,10-Tetraacetoxy-5a-(acetoxymethyl)-4-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzooxepin

1 reference

based on heuristic

inferred from SMILES

mass

632.24689134 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₁₃

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C2(COC(=O)C)C(OC(=O)C)C(OC(=O)C)CC(C)C32OC(C)(C)C1C3OC(=O)C)C=4C=CC=CC4

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isomeric SMILES

CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(C)=O)[C@@H]2OC(C)=O

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found in taxon

Euonymus nanoides

1 reference

stated in

A New Antitumour Sesquiterpene from the Euonymus Nanoides

Identifiers

InChI

InChI=1S/C32H40O13/c1-16-14-23(40-18(3)34)26(41-19(4)35)31(15-39-17(2)33)28(43-21(6)37)25(44-29(38)22-12-10-9-11-13-22)24-27(42-20(5)36)32(16,31)45-30(24,7)8/h9-13,16,23-28H,14-15H2,1-8H3/t16-,23+,24-,25-,26+,27-,28-,31+,32-/m1/s1

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InChIKey

CQFLWUBGIUDNJS-OWMKIBRWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CQFLWUBGIUDNJS-OWMKIBRWSA-N

1 reference

(Q104967957)

[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-4,5,7,12-tetraacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate

Statements

Identifiers

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