Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C37H58O11 |
| Molecular Weight | 678.8498 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 18 / 18 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@@H]3C(C)(C)O)[C@H](O)[C@@]4(C)[C@]5([H])CC[C@]6([H])[C@]7(C[C@@]57C[C@@H](OC(C)=O)[C@]24C)CC[C@H](O[C@]8([H])OC[C@@H](O)[C@H](O)[C@H]8O)C6(C)C
InChI
InChIKey=HZIBYJCDCHVSPK-HDBHZJCMSA-N
InChI=1S/C37H58O11/c1-17-13-20-28(32(5,6)43)48-37(47-20)27(17)34(8)24(45-18(2)38)14-36-16-35(36)12-11-23(46-29-26(41)25(40)19(39)15-44-29)31(3,4)21(35)9-10-22(36)33(34,7)30(37)42/h17,19-30,39-43H,9-16H2,1-8H3/t17-,19-,20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1
| Molecular Formula | C37H58O11 |
| Molecular Weight | 678.8498 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 17 / 18 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
12β-Acetoxycimigenol 3-O-β-D-xylanopyranoside is a triterpenoid glycoside extracted from roots Cimicifuga racemosa, a plant used to treat a variety of ailments, including diarrhea, sore throat, rheumatism and menopausal disorders. The compound was also found in the roots of Actaea pachypoda and Cimicifuga fetida. The compound showed weak antibacterial activity in the agar diffusion assay and did not show any cytotoxicity against five human cancer cell lines.
Approval Year
Sample Use Guides
Activity of 12β-Acetoxycimigenol 3-O-β-D-xylanopyranoside against Shigella flexneri, Shigella dysenteriae, Shigella sonnei, Mycobacterium tuberculosis, a-hemolytic Streptococcus and Streptococcus pneumoniae were determined by the paper disk diffusion assay on agar plates. The samples were dissolved in chloroform and applied to a paper disk with a syringe (500 mg each disk), respectively. The disks were dried with flow air and put onto agar media inoculated with the testing organism. Inhibition zones were observed after incubation for 10 h at 42°C. Compound weakly inhibited S. Flexnerfi, S. Sonnei, M. tuberculosis and S. pneumoniae.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:34:47 GMT 2023
by
admin
on
Sat Dec 16 09:34:47 GMT 2023
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| Record UNII |
KBR437717F
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| Record Status |
Validated (UNII)
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| Record Version |
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909425-06-5
Created by
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KBR437717F
Created by
admin on Sat Dec 16 09:34:47 GMT 2023 , Edited by admin on Sat Dec 16 09:34:47 GMT 2023
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44418831
Created by
admin on Sat Dec 16 09:34:47 GMT 2023 , Edited by admin on Sat Dec 16 09:34:47 GMT 2023
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| Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
ISOLATED by Lai GF et.al. in J Asian Nat Prod,7(5):695-699,2005
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