Cas no 362472-81-9 (Withanoside IV)

Withanoside IV structure
Withanoside IV structure
Product Name:Withanoside IV
CAS No:362472-81-9
MF:C40H62O15
MW:782.911294460297
MDL:MFCD09264637
CID:836176
PubChem ID:329751512
Update Time:2025-04-19

Withanoside IV Chemical and Physical Properties

Names and Identifiers

    • Withanoside IV
    • WITHANOSIDE IV(P)
    • WITHANOSIDE IV(SH)(NEW)
    • (1α,3β,22R)-3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-1,22,27-trihydroxy-ergosta-5,24-dien-26-oic acid δ-lactone
    • 362472-81-9
    • UNII-156GUP486T
    • WITHANOSIDE IV [USP-RS]
    • 156GUP486T
    • Withanoside IV, analytical standard
    • Q27251700
    • (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
    • Withanoside iv, (+)-
    • DTXSID40746874
    • AKOS040762510
    • 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)-
    • (1alpha,3beta,22R)-1,26-Dihydroxy-27-oxo-22,27-epoxyergosta-5,24-dien-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
    • Withanoside IV, United States Pharmacopeia (USP) Reference Standard
    • SCHEMBL16365858
    • ERGOSTA-5,24-DIEN-26-OIC ACID, 3-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-1,22,27-TRIHYDROXY-, .SIGMA.-LACTONE, (1.ALPHA.,3.BETA.,22R)-
    • (+)-Withanoside IV
    • FS-10672
    • (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
    • WITHANOSIDE IV (CONSTITUENT OF ASHWAGANDHA ROOT)
    • G91236
    • WITHANOSIDEIV
    • CHEBI:231688
    • WITHANOSIDE IV (USP-RS)
    • MDL： MFCD09264637
    • 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
    • SMILES： O[C@H]1C[C@@H](CC2=CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@H]43)[C@]21C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O1)O)O)O

Computed Properties

  • Exact Mass: 782.40887127g/mol
  • Monoisotopic Mass: 782.40887127g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 55
  • Rotatable Bond Count: 9
  • Complexity: 1470
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 20
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 245?2

Experimental Properties

  • Density: 1.43
  • Solubility: Pyridine (Slightly)

Withanoside IV Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Storage Condition：Hygroscopic, Refrigerator, under inert atmosphere

Withanoside IV Pricemore >>

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