Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H31N3O9S |
| Molecular Weight | 621.658 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12[C@@H]3SCC(=O)C(=O)OC[C@H](N1[C@@H](C#N)[C@@H]4CC5=CC(C)=C(OC)C(O)=C5[C@H]2N4C)C6=C7OCOC7=C(C)C(OC(C)=O)=C36
InChI
InChIKey=YSERURBZPDTJCX-FJWCZQISSA-N
InChI=1S/C31H31N3O9S/c1-12-6-15-7-16-17(8-32)34-18-9-40-31(38)19(36)10-44-30(24(34)23(33(16)4)20(15)25(37)26(12)39-5)22-21(18)29-28(41-11-42-29)13(2)27(22)43-14(3)35/h6,16-18,23-24,30,37H,7,9-11H2,1-5H3/t16-,17-,18-,23+,24+,30+/m0/s1
Approval Year
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| Code System | Code | Type | Description | ||
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308359-33-3
Created by
admin on Wed Apr 02 20:25:04 GMT 2025 , Edited by admin on Wed Apr 02 20:25:04 GMT 2025
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11192885
Created by
admin on Wed Apr 02 20:25:04 GMT 2025 , Edited by admin on Wed Apr 02 20:25:04 GMT 2025
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PRIMARY | |||
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B4N6YM4URH
Created by
admin on Wed Apr 02 20:25:04 GMT 2025 , Edited by admin on Wed Apr 02 20:25:04 GMT 2025
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PRIMARY |
![Structure of 5-(Acetyloxy)-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19,20-dioxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile acetate, (6R,6aR,7R,13S,14R,16R)-](/img/fe942f29-267c-4de1-9a2f-1e87926c37af.svg "Structure of 5-(Acetyloxy)-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19,20-dioxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile acetate, (6R,6aR,7R,13S,14R,16R)-")
![Structure of 5-(Acetyloxy)-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19,20-dioxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile, (6R,6aR,7R,13S,14R,16R)-](/img/d93b8641-c724-46fa-9a50-9189ce98de78.svg "Structure of 5-(Acetyloxy)-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19,20-dioxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile, (6R,6aR,7R,13S,14R,16R)-")