Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C52H68N2O12 |
| Molecular Weight | 913.1025 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Charge | 2 |
SHOW SMILES / InChI
SMILES
COC1=CC2=C(C=C1OC)[C@@H](CC3=CC(OC)=C(OC)C=C3)[N@+](C)(CCCOC(=O)\C=C\C(=O)OCCC[N@+]4(C)CCC5=C(C=C(OC)C(OC)=C5)[C@H]4CC6=CC(OC)=C(OC)C=C6)CC2
InChI
InChIKey=VAAOJRNWUCWLCQ-QZFJSFTMSA-N
InChI=1S/C52H68N2O12/c1-53(23-19-37-31-47(61-7)49(63-9)33-39(37)41(53)27-35-13-15-43(57-3)45(29-35)59-5)21-11-25-65-51(55)17-18-52(56)66-26-12-22-54(2)24-20-38-32-48(62-8)50(64-10)34-40(38)42(54)28-36-14-16-44(58-4)46(30-36)60-6/h13-18,29-34,41-42H,11-12,19-28H2,1-10H3/q+2/b18-17+/t41-,42-,53-,54-/m1/s1
| Molecular Formula | C52H68N2O12 |
| Molecular Weight | 913.1025 |
| Charge | 2 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 4 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:31:55 UTC 2023
by
admin
on
Sat Dec 16 11:31:55 UTC 2023
|
| Record UNII |
Q4IF0M6RCM
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Q4IF0M6RCM
Created by
admin on Sat Dec 16 11:31:55 UTC 2023 , Edited by admin on Sat Dec 16 11:31:55 UTC 2023
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24987000
Created by
admin on Sat Dec 16 11:31:55 UTC 2023 , Edited by admin on Sat Dec 16 11:31:55 UTC 2023
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1246170-56-8
Created by
admin on Sat Dec 16 11:31:55 UTC 2023 , Edited by admin on Sat Dec 16 11:31:55 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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ACTIVE MOIETY |
