Cas no 25615-11-6 (Hop-22(29)-en-3-one)

Hop-22(29)-en-3-one is a triterpenoid compound derived from hops (Humulus lupulus) and related plant sources. It is characterized by a lupane skeleton with a ketone functional group at the C-3 position and a double bond between C-22 and C-29. This compound is of interest in phytochemical research due to its structural similarity to bioactive triterpenes, which often exhibit anti-inflammatory, antimicrobial, or cytotoxic properties. Its well-defined molecular structure makes it a valuable reference standard in analytical chemistry, particularly in HPLC or GC-MS studies of hop extracts or plant-derived metabolites. The compound's stability and purity also facilitate investigations into structure-activity relationships within the lupane triterpenoid class.
Hop-22(29)-en-3-one structure
Hop-22(29)-en-3-one structure
Product Name:Hop-22(29)-en-3-one
CAS No:25615-11-6
MF:C30H48O
MW:424.701529502869
CID:271649
PubChem ID:15560618
Update Time:2025-11-06

Hop-22(29)-en-3-one Chemical and Physical Properties

Names and Identifiers

    • A'-Neogammacer-22(29)-en-3-one
    • 17BETA(H),21BETA(H)-HOP-22(29)-EN-3-ONE
    • 17?(H),21?(H)-HOP-22(29)-EN-3-ONE
    • 17?(H),21?(H)-Hop-22(29)-en-3-one100μg
    • androsteronehemisuccinate
    • 3-Oxo-hop-22(29)-ene
    • CS-0530382
    • Hop-22(29)-en-3-one
    • (3S,3As,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
    • 25615-11-6
    • Inchi： 1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-24H,1,9-18H2,2-8H3/t20-,21+,22+,23-,24-,27+,28+,29-,30-/m1/s1
    • InChI Key： VEVKLOLYYQLRRV-WQPOQZFBSA-N
    • SMILES： O=C1CC[C@@]2(C)[C@H](C1(C)C)CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](C(=C)C)[C@@H]3CC[C@@]12C

Computed Properties

  • Exact Mass: 424.37100
  • Monoisotopic Mass: 424.370516150g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 1
  • Complexity: 807
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 9.6
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 8.23300

Hop-22(29)-en-3-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
H251800-2.5mg
Hop-22(29)-en-3-one
 25615-11-6
2.5mg
 $ 173.00 2023-04-15
TRC
H251800-10mg
Hop-22(29)-en-3-one
 25615-11-6
10mg
 $ 661.00 2023-04-15
TRC
H251800-25mg
Hop-22(29)-en-3-one
 25615-11-6
25mg
 $ 1800.00 2023-09-07

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