Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H32O14 |
| Molecular Weight | 580.5346 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 11 / 11 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2([H])C3=C(C(=O)C4=C2C=C(CO)C=C4O)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=CC=C3
InChI
InChIKey=MNAYRSRTNMVAPR-OPEXUXIQSA-N
InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
| Molecular Formula | C27H32O14 |
| Molecular Weight | 580.5346 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 11 / 11 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:32:07 UTC 2023
by
admin
on
Sat Dec 16 08:32:07 UTC 2023
|
| Record UNII |
39GRF8ND7D
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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39GRF8ND7D
Created by
admin on Sat Dec 16 08:32:07 UTC 2023 , Edited by admin on Sat Dec 16 08:32:07 UTC 2023
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14605093
Created by
admin on Sat Dec 16 08:32:07 UTC 2023 , Edited by admin on Sat Dec 16 08:32:07 UTC 2023
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53861-34-0
Created by
admin on Sat Dec 16 08:32:07 UTC 2023 , Edited by admin on Sat Dec 16 08:32:07 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> CONSTITUENT ALWAYS PRESENT |
From the dried bark of Frangula purshiana Cooper syn. Rhamnus purshiana DC.(Cascara Sagrada)
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PARENT -> CONSTITUENT ALWAYS PRESENT |
