Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H62O17 |
| Molecular Weight | 838.9315 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 20 / 20 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]7(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C(=O)C=C5[C@]6([H])C[C@](C)(CC[C@]6(C)CC[C@@]45C)C(O)=O)[C@@]2(C)CO)C(O)=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O
InChI
InChIKey=WBQVRPYEEYUEBQ-OJVDLISWSA-N
InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21+,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,37+,38-,39-,40+,41+,42+/m0/s1
| Molecular Formula | C42H62O17 |
| Molecular Weight | 838.9315 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 20 / 20 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:28:35 UTC 2023
by
admin
on
Sat Dec 16 08:28:35 UTC 2023
|
| Record UNII |
3TOQ2I088A
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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14891565
Created by
admin on Sat Dec 16 08:28:35 UTC 2023 , Edited by admin on Sat Dec 16 08:28:35 UTC 2023
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3TOQ2I088A
Created by
admin on Sat Dec 16 08:28:35 UTC 2023 , Edited by admin on Sat Dec 16 08:28:35 UTC 2023
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DTXSID101316120
Created by
admin on Sat Dec 16 08:28:35 UTC 2023 , Edited by admin on Sat Dec 16 08:28:35 UTC 2023
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118441-84-2
Created by
admin on Sat Dec 16 08:28:35 UTC 2023 , Edited by admin on Sat Dec 16 08:28:35 UTC 2023
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| Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
The compound did not show significant cytotoxicity against uninfected MDCK cells at 100 uM, but showed inhibitory activity against the H1N1 virus at 100 uM. The compound was also evaluated for anti-HIV activity.
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