| CAS Number | 362472-81-9 |
| Catalog Number | AG00C936(AGN-PC-0RBUPN) |
| Chemical Name | WITHANOSIDEIV |
| IUPAC Name | (2R)-2-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one |
| InChI | InChI=1S/C40H62O15/c1-17-11-26(53-36(50)22(17)14-41)18(2)23-7-8-24-21-6-5-19-12-20(13-29(43)40(19,4)25(21)9-10-39(23,24)3)52-38-35(49)33(47)31(45)28(55-38)16-51-37-34(48)32(46)30(44)27(15-42)54-37/h5,18,20-21,23-35,37-38,41-49H,6-16H2,1-4H3/t18-,20+,21-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1 |
| InChI Key | VUQQGHSDHGOYRH-IFUSOADVSA-N |
| MDL Number | MFCD09264637 |
| Molecular Formula | C40H62O15 |
| Molecular Weight | 782.9113 |
| SMILES | C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C[C@@H]4O)(CC1)[H])[H])(CC[C@@]2([C@H](C)[C@]7(CC(C)=C(CO)C(=O)O7)[H])[H])[H] |
| UNII | 156GUP486T |
| Synonyms | withanoside IV,
Withanoside IV,
UNII-156GUP486T,
362472-81-9,
156GUP486T,
Withanoside iv, (+)-,
SCHEMBL16365858,
Withanoside IV (constituent of ashwagandha root) [DSC],
DTXSID40746874,
Withanoside IV, analytical standard,
ZINC169730738,
Ergosta-5,24-dien-26-oic acid, 3-((6-o-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-1,22,27-trihydroxy-, sigma-lactone, (1alpha,3beta,22R)-,
Withanoside IV, United States Pharmacopeia (USP) Reference Standard,
(1|A,3|A,22R)-3-[(6-O-|A-D-Glucopyranosyl-|A-D-glucopyranosyl)oxy]-1,22,27-trihydroxy-ergosta-5,24-dien-26-oic acid |A-lactone,
(1alpha,3beta,22R)-1,26-Dihydroxy-27-oxo-22,27-epoxyergosta-5,24-dien-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside,
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