(Q27138104)

inferred from InChIKey

mass

867.295±0 dalton

1 reference

[(1R,3S,13R,14S,17R,18S,19S,20S,21R,22S,23S,24S,25R)-18,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-19-yl] benzoate

CHEBI:69762 (English)

7 October 2016

1 reference

inferred from InChIKey

2 references

inferred from InChIKey

8beta-Acetoxy-1-O-benzoyl-1-O-deacetyl-8-deoxoevonine

1 reference

[(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-19-yl] benzoate

1 reference

[(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-19-yl] benzoate

1 reference

[(1R,3R,13R,14S,17R,18S,19R,20R,21S,22S,23S,24S,25R)-18,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-19-yl] benzoate

1 reference

chemical formula

C₄₃H₄₉NO₁₈

1 reference

CHEBI:69762 (English)

7 October 2016

canonical SMILES

CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C6=CC=CC=C6)OC(=O)C)C

1 reference

CHEBI:69762 (English)

7 October 2016

isomeric SMILES

C[C@H]1[C@@H](C(=O)O[C@H]2[C@@H]([C@@H]([C@@]3([C@@H]([C@H]([C@@H]4[C@H]([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C6=CC=CC=C6)OC(=O)C)C

1 reference

CHEBI:69762 (English)

InChI=1S/C43H49NO18/c1-20-21(2)37(50)60-34-32(57-24(5)47)36(61-38(51)27-14-11-10-12-15-27)42(19-54-22(3)45)35(59-26(7)49)31(56-23(4)46)29-33(58-25(6)48)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20-,21-,29+,31-,32-,33+,34-,35+,36-,40-,41-,42-,43-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:69762 (English)

PPRQMPUDIUVHQX-MTYDRNGTSA-N

7 October 2016

InChIKey

2 references

CHEBI:69762 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S,3R,13S,14S,17S,18R,19R,20S,21S,22S,23R,24R,25S)-18,21,22,24-Tetraacetoxy-20-(acetoxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0~1,20~.0~3,23~.0~7,1 (English)

7 October 2016

2 references