Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C17H21NO4.C6H8O7 |
| Molecular Weight | 798.8294 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C3=CC=CC=C3)N2C.COC(=O)[C@@H]4[C@H]5CC[C@@H](C[C@@H]4OC(=O)C6=CC=CC=C6)N5C
InChI
InChIKey=ABRXXTCCHNTUTK-QJHKOLHCSA-N
InChI=1S/2C17H21NO4.C6H8O7/c2*1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*3-7,12-15H,8-10H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t2*12-,13+,14-,15+;/m00./s1
| Molecular Formula | C17H21NO4 |
| Molecular Weight | 303.3529 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1235 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:10:48 UTC 2023
by
admin
on
Sat Dec 16 11:10:48 UTC 2023
|
| Record UNII |
WM3M8W3FYR
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
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5988-00-1
Created by
admin on Sat Dec 16 11:10:48 UTC 2023 , Edited by admin on Sat Dec 16 11:10:48 UTC 2023
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PRIMARY | |||
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167713243
Created by
admin on Sat Dec 16 11:10:48 UTC 2023 , Edited by admin on Sat Dec 16 11:10:48 UTC 2023
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PRIMARY | |||
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WM3M8W3FYR
Created by
admin on Sat Dec 16 11:10:48 UTC 2023 , Edited by admin on Sat Dec 16 11:10:48 UTC 2023
|
PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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