Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C45H53NO14.2H2O |
| Molecular Weight | 867.9312 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 11 / 11 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[H][C@@]12C[C@@]13C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]6(CO[C@]6([H])C2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C7=CC=CC=C7
InChI
InChIKey=SEFGUGYLLVNFIJ-QDRLFVHASA-N
InChI=1S/C45H53NO14.2H2O/c1-23-29(57-39(52)33(49)32(26-15-11-9-12-16-26)46-40(53)60-41(4,5)6)21-45(54)37(58-38(51)27-17-13-10-14-18-27)35-43(36(50)34(56-24(2)47)31(23)42(45,7)8)20-28(43)19-30-44(35,22-55-30)59-25(3)48;;/h9-18,28-30,32-35,37,49,54H,19-22H2,1-8H3,(H,46,53);2*1H2/t28-,29+,30-,32+,33-,34-,35+,37+,43-,44+,45-;;/m1../s1
| Molecular Formula | C45H53NO14 |
| Molecular Weight | 831.9006 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 11 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| 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
Fri Dec 15 15:42:45 UTC 2023
by
admin
on
Fri Dec 15 15:42:45 UTC 2023
|
| Record UNII |
23K148PYZO
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
6918259
Created by
admin on Fri Dec 15 15:42:45 UTC 2023 , Edited by admin on Fri Dec 15 15:42:45 UTC 2023
|
PRIMARY | |||
|
23K148PYZO
Created by
admin on Fri Dec 15 15:42:45 UTC 2023 , Edited by admin on Fri Dec 15 15:42:45 UTC 2023
|
PRIMARY | |||
|
DTXSID80172850
Created by
admin on Fri Dec 15 15:42:45 UTC 2023 , Edited by admin on Fri Dec 15 15:42:45 UTC 2023
|
PRIMARY | |||
|
192573-38-9
Created by
admin on Fri Dec 15 15:42:45 UTC 2023 , Edited by admin on Fri Dec 15 15:42:45 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
