Cas no 18296-48-5 (10-isovaleroxyvaltrate hydrin)

10-Isovaleroxyvaltrate hydrin is a bioactive iridoid ester derived from valerian species, recognized for its structural complexity and potential pharmacological properties. This compound exhibits notable stability and selective reactivity, making it a valuable intermediate in organic synthesis and medicinal chemistry research. Its unique isovaleroxy moiety contributes to enhanced lipophilicity, which may influence bioavailability and receptor interactions. Analytical studies confirm high purity and consistent composition, ensuring reproducibility in experimental applications. Researchers value this derivative for its utility in exploring structure-activity relationships within the valepotriate class, particularly in neuropharmacological studies. Proper handling under controlled conditions is recommended due to its sensitivity to light and heat.
10-isovaleroxyvaltrate hydrin structure
10-isovaleroxyvaltrate hydrin structure
Product Name:10-isovaleroxyvaltrate hydrin
CAS No:18296-48-5
MF:C27H40O10
MW:524.600509643555
CID:2013860
PubChem ID:75044760
Update Time:2025-05-28

10-isovaleroxyvaltrate hydrin Chemical and Physical Properties

Names and Identifiers

    • 10-isovaleroxyvaltrate hydrin
    • FS-7384
    • Valtrate Hydrine B4
    • CS-0140257
    • HY-N8173
    • 18296-48-5
    • [(1R,6R,7S,7aR)-4-[(acetyloxy)methyl]-7-hydroxy-1,6-bis[(3-methylbutanoyl)oxy]-1H,6H,7aH-cyclopenta[c]pyran-7-yl]methyl 3-methylbutanoate
    • [(1R,6R,7S,7Ar)-4-(acetyloxymethyl)-7-hydroxy-1,6-bis(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 3-methylbutanoate
    • E88630
    • Inchi： 1S/C27H40O10/c1-15(2)8-22(29)35-14-27(32)21(36-23(30)9-16(3)4)11-20-19(12-33-18(7)28)13-34-26(25(20)27)37-24(31)10-17(5)6/h11,13,15-17,21,25-26,32H,8-10,12,14H2,1-7H3/t21-,25+,26-,27+/m1/s1
    • InChI Key： NDHTVWHEZTVRJI-DXXVALNZSA-N
    • SMILES： O[C@@]1(COC(CC(C)C)=O)[C@@H](C=C2C(COC(C)=O)=CO[C@@H]([C@@H]12)OC(CC(C)C)=O)OC(CC(C)C)=O

Computed Properties

  • Exact Mass: 524.26214747g/mol
  • Monoisotopic Mass: 524.26214747g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 16
  • Complexity: 916
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 135?2

10-isovaleroxyvaltrate hydrin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
V934396-5mg
Valtrate hydrine B 4
 18296-48-5 ≥98%
5mg
 ￥2,970.00 2022-09-28
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
V934396-10mg
Valtrate hydrine B 4
 18296-48-5 ≥98%
10mg
 ￥5,202.00 2022-09-28

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