Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C53H72N2O12 |
| Molecular Weight | 929.145 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 2 |
SHOW SMILES / InChI
SMILES
COC1=C(OC)C=C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]4(C)CCC5=CC(OC)=C(OC)C=C5[C@H]4CC6=CC(OC)=C(OC)C=C6)C=C1
InChI
InChIKey=YXSLJKQTIDHPOT-LGHDNDGLSA-N
InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54-,55+/m1/s1
| Molecular Formula | C53H72N2O12 |
| Molecular Weight | 929.145 |
| Charge | 2 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:36:17 UTC 2023
by
admin
on
Fri Dec 15 16:36:17 UTC 2023
|
| Record UNII |
6I6ZV2IVUX
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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1599467-96-5
Created by
admin on Fri Dec 15 16:36:17 UTC 2023 , Edited by admin on Fri Dec 15 16:36:17 UTC 2023
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6I6ZV2IVUX
Created by
admin on Fri Dec 15 16:36:17 UTC 2023 , Edited by admin on Fri Dec 15 16:36:17 UTC 2023
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175693
Created by
admin on Fri Dec 15 16:36:17 UTC 2023 , Edited by admin on Fri Dec 15 16:36:17 UTC 2023
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PRIMARY |
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|---|---|---|---|---|
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> IMPURITY |
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