(Q105285503)

English

(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14R)-4,9,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-8-yl benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

(4,9,13-Triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

596.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3S,4S,5R,7S,8R,9R,10E,12S,13S,14S)-4,9,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] benzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-4,9,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] benzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₀O₁₀

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C(=CC23OC3(C(=O)C(C)C(OC(=O)C)C4C1C4(C)C)CC(C)C2OC(=O)C)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@H]1[C@H](C)C[C@@]23O[C@@]12/C=C(\C)[C@@H](OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@H]1[C@@H]([C@@H](OC(C)=O)[C@@H](C)C3=O)C1(C)C

0 references

found in taxon

Euphorbia canari

1 reference

stated in

Terracinolides from Euphorbia terracina

Identifiers

InChI

InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1

(Q105285503)

(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14R)-4,9,13-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-8-yl benzoate

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