Details
| Stereochemistry | MIXED |
| Molecular Formula | C29H35O8.Na |
| Molecular Weight | 534.5732 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@@]12CC[C@](O)(C(=O)COC(=O)C3CC=CCC3C([O-])=O)[C@@]1(C)C[C@H](O)[C@@]4([H])[C@@]2([H])CCC5=CC(=O)C=C[C@]45C
InChI
InChIKey=LJZITGOQTCTZFY-NJOYYUEASA-M
InChI=1S/C29H36O8.Na/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34;/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34);/q;+1/p-1/t18?,19?,20-,21-,22-,24+,27-,28-,29-;/m0./s1
| 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 |
| Molecular Formula | C29H35O8 |
| Molecular Weight | 511.5834 |
| Charge | -1 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:45:23 UTC 2023
by
admin
on
Sat Dec 16 08:45:23 UTC 2023
|
| Record UNII |
S7G90C1P6W
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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23671896
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S7G90C1P6W
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10059-14-0
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admin on Sat Dec 16 08:45:23 UTC 2023 , Edited by admin on Sat Dec 16 08:45:23 UTC 2023
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100000085075
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SUB04022MIG
Created by
admin on Sat Dec 16 08:45:23 UTC 2023 , Edited by admin on Sat Dec 16 08:45:23 UTC 2023
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
