Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H62O16.C14H22ClN3O2 |
| Molecular Weight | 1122.728 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 19 / 19 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC.C[C@]23CC[C@@](C)(C[C@H]2C4=CC(=O)[C@@H]5[C@@]6(C)CC[C@H](O[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)C(O)=O)C(O)=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC3)C(O)=O
InChI
InChIKey=ZKHHXKDHEAASOS-OOFFSTKBSA-N
InChI=1S/C42H62O16.C14H22ClN3O2/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);8-9H,4-7,16H2,1-3H3,(H,17,19)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1
| Molecular Formula | C42H62O16 |
| Molecular Weight | 822.9321 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 19 / 19 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C14H22ClN3O2 |
| Molecular Weight | 299.796 |
| 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
Tue Apr 01 21:20:00 GMT 2025
by
admin
on
Tue Apr 01 21:20:00 GMT 2025
|
| Record UNII |
Y8UY883ERM
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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139593520
Created by
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