Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C30H35NO3.C4H4O4 |
| Molecular Weight | 573.676 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.COC1=CC2=C(C=C1)[C@H]([C@H](C3=CC=CC=C3)C(C)(C)O2)C4=CC=C(OCCN5CCCC5)C=C4
InChI
InChIKey=CKDZFQCZLXNLRD-JJGRXVLVSA-N
InChI=1S/C30H35NO3.C4H4O4/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31;5-3(6)1-2-4(7)8/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t28-,29+;/m1./s1
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C30H35NO3 |
| Molecular Weight | 457.6038 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:53:56 UTC 2023
by
admin
on
Sat Dec 16 12:53:56 UTC 2023
|
| Record UNII |
4R59J5G61K
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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4R59J5G61K
Created by
admin on Sat Dec 16 12:53:56 UTC 2023 , Edited by admin on Sat Dec 16 12:53:56 UTC 2023
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PRIMARY | |||
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9938031
Created by
admin on Sat Dec 16 12:53:56 UTC 2023 , Edited by admin on Sat Dec 16 12:53:56 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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|
PARENT -> SALT/SOLVATE |
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