Cas no 121449-67-0 (2(5H)-Furanone,4-[(1S)-1-(acetyloxy)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]-)

2(5H)-Furanone,4-[(1S)-1-(acetyloxy)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]- structure
121449-67-0 structure
Product Name:2(5H)-Furanone,4-[(1S)-1-(acetyloxy)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]-
CAS No:121449-67-0
MF:C28H38O11
MW:550.59472990036
CID:169747
PubChem ID:14314160
Update Time:2025-04-19

2(5H)-Furanone,4-[(1S)-1-(acetyloxy)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]- Chemical and Physical Properties

Names and Identifiers

    • 2(5H)-Furanone,4-[(1S)-1-(acetyloxy)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]-
    • Ajugapantin A
    • 2(5H)-Furanone,4-[1-(acetyloxy)-2-[4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]-,[1R-[1a,4b,4ab,5b(S*),6a,8a,8aa]]-
    • Spiro[naphthalene-1(2H),2'-oxirane], 2(5H)-furanone deriv.
    • 4-[(1S)-1-(Acetyloxy)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]-2(5H)-furanone
    • [1,5-Diacetyloxy-8-[2-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-7,8-dimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
    • 121449-67-0
    • Inchi： 1S/C28H38O11/c1-15-9-23(39-19(5)32)28(14-35-16(2)29)25(21(37-17(3)30)7-8-27(28)13-36-27)26(15,6)11-22(38-18(4)31)20-10-24(33)34-12-20/h10,15,21-23,25H,7-9,11-14H2,1-6H3
    • InChI Key： KBIJVGBQDPMKKO-UHFFFAOYSA-N
    • SMILES： O1CC21CCC(C1C(C)(CC(C3=CC(=O)OC3)OC(C)=O)C(C)CC(C21COC(C)=O)OC(C)=O)OC(C)=O

Computed Properties

  • Exact Mass: 550.24144
  • Monoisotopic Mass: 550.24141202g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 12
  • Complexity: 1080
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 144?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.28±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 200-202 oC
  • Solubility: Very slightly soluble (0.88 g/l) (25 o C),
  • PSA: 144.03

2(5H)-Furanone,4-[(1S)-1-(acetyloxy)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
A46650-5mg
Ajugapantin A
 121449-67-0 ,HPLC≥95%
5mg
 ￥4118.0 2023-09-08

2(5H)-Furanone,4-[(1S)-1-(acetyloxy)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]- Related Literature

Related Categories

121449-67-0 (2(5H)-Furanone,4-[(1S)-1-(acetyloxy)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-5-yl]ethyl]-) Related Products

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