(Q105262865)

English

[(1R,2R,3R,4S,5S,7R,8S,9R,11S,16R)-1,2,8,11,16-pentaacetyloxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl] benzoate

chemical compound

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type of chemical entity

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subclass of

(1,2,8,11,16-Pentaacetyloxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl) benzoate

1 reference

based on heuristic

inferred from SMILES

[(1R,2R,3R,4S,5S,7R,8R,9R,11S)-1,2,8,11,16-pentaacetyloxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl] benzoate

1 reference

based on heuristic

inferred from SMILES

(1R,2R,3R,4S,5S,7R,8S,9R,11S)-1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadec-10(14)-en-4-yl benzoate

1 reference

based on heuristic

inferred from SMILES

(1R,2R,3R,4S,5S,7R,8S,11S,16S)-1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadec-10(14)-en-4-yl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

712.273106088 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,3R,4S,5S,7R,8S,9R,11S,16S)-1,2,8,11,16-pentaacetyloxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl] benzoate

1 reference

based on heuristic

inferred from InChI

[(1R,2R,3R,4S,5S,7R,8R,9R,11S,16R)-1,2,8,11,16-pentaacetyloxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl] benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₄₄O₁₄

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canonical SMILES

O=C(OC1C(C)CC2(O)C(OC(=O)C)C3(C4=C(C(=O)C(C)(C)C4OC(=O)C)CC(OC(=O)C)(C(OC(=O)C)C12)C3OC(=O)C)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@H]1C2=C(C[C@@]3(OC(C)=O)[C@H](OC(C)=O)[C@H]4[C@@H](OC(=O)c5ccccc5)[C@@H](C)C[C@]4(O)[C@@H](OC(C)=O)[C@]2(C)[C@H]3OC(C)=O)C(=O)C1(C)C

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found in taxon

Euphorbia paralias

2 references

stated in

Diterpenoids from Euphorbia paralias

stated in

Diterpenoids from Euphorbia paralias

Identifiers

InChI

InChI=1S/C37H44O14/c1-17-15-36(45)26(27(17)50-31(44)23-13-11-10-12-14-23)30(47-19(3)39)37(51-22(6)42)16-24-25(29(46-18(2)38)34(7,8)28(24)43)35(9,32(36)48-20(4)40)33(37)49-21(5)41/h10-14,17,26-27,29-30,32-33,45H,15-16H2,1-9H3/t17-,26+,27-,29-,30+,32-,33+,35+,36+,37+/m0/s1

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InChIKey

SWSXELQHTSGROU-XNOAKYPBSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SWSXELQHTSGROU-XNOAKYPBSA-N

1 reference

(Q105262865)

[(1R,2R,3R,4S,5S,7R,8S,9R,11S,16R)-1,2,8,11,16-pentaacetyloxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl] benzoate

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