Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C33H48NO10S.Na |
| Molecular Weight | 673.79 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCCCCC(=O)N(C)CCS([O-])(=O)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@H](C)C4=CC(=O)C=C[C@]34C
InChI
InChIKey=CDMLLMOLWUKNEK-AOHDELFNSA-M
InChI=1S/C33H49NO10S.Na/c1-21-17-23-24-12-14-33(40,32(24,3)19-26(36)30(23)31(2)13-11-22(35)18-25(21)31)27(37)20-44-29(39)10-8-6-5-7-9-28(38)34(4)15-16-45(41,42)43;/h11,13,18,21,23-24,26,30,36,40H,5-10,12,14-17,19-20H2,1-4H3,(H,41,42,43);/q;+1/p-1/t21-,23-,24-,26-,30+,31-,32-,33-;/m0./s1
| Molecular Formula | C33H48NO10S |
| Molecular Weight | 650.8 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| 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 16:57:45 UTC 2023
by
admin
on
Sat Dec 16 16:57:45 UTC 2023
|
| Record UNII |
G6CS53NCVS
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C521
Created by
admin on Sat Dec 16 16:57:45 UTC 2023 , Edited by admin on Sat Dec 16 16:57:45 UTC 2023
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W-128
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SUB08874MIG
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DTXSID7023304
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5945
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100000080889
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135864
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C052305
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90350-40-6
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G6CS53NCVS
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23663977
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C77422
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CHEMBL1697783
Created by
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1772
Created by
admin on Sat Dec 16 16:57:45 UTC 2023 , Edited by admin on Sat Dec 16 16:57:45 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
