Cas no 122616-88-0 ([5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate)

[5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate structure
122616-88-0 structure
Product Name:[5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate
CAS No:122616-88-0
MF:C34H48O11
MW:632.738331794739
CID:192414
PubChem ID:6442822
Update Time:2025-04-19

[5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,2-methyl-,(1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-[(2S)-2-methyl-1-oxobutoxy]spiro[naphthalene-1(2H),2'-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethylester, (2E)-
    • Ajugamarin H1
    • [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-[(E)-2-methylbut-2-enoyl]oxy-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl]
    • 2-Butenoic acid,2-methyl-,(1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-[(2S)
    • 2-Butenoic acid,2-methyl-,(1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-[(2S)-2-methyl-1-oxobutoxy]spiro[naphthalene-1(2H),2'-oxiran]-5-yl]-1-(2,5-dihyd
    • [(1R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-[(E)-2-methylbut-2-enoyl]oxy-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
    • [5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)
    • 122616-88-0
    • Ajugamarin H 1
    • (1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-4-{[(2S)-2-methylbutanoyl]oxy}octahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl (2E)-2-methylbut-2-enoate
    • [(1R,4R,4aR,5S,7R,8S,8aR)-5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[(2S)-2-[(E)-2-methylbut-2-enoyl]oxy-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] (2S)-2-methylbutanoate
    • Q27138217
    • CHEMBL1813863
    • DTXSID201098032
    • 2-Butenoic acid, 2-methyl-, (1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-[(2S)-2-methyl-1-oxobutoxy]spiro[naphthalene-1(2H),2'-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2E)-
    • CHEBI:69875
    • FS-7961
    • [5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate
    • Inchi： 1S/C34H48O11/c1-9-19(3)30(38)44-25-11-12-33(17-42-33)34(18-41-22(6)35)27(43-23(7)36)13-21(5)32(8,29(25)34)15-26(24-14-28(37)40-16-24)45-31(39)20(4)10-2/h10,14,19,21,25-27,29H,9,11-13,15-18H2,1-8H3/b20-10+/t19-,21+,25+,26-,27-,29+,32-,33?,34+/m0/s1
    • InChI Key： YUTIPMUBYJJHKA-CKTDTYOHSA-N
    • SMILES： O1CC21CC[C@H]([C@@H]1[C@@](C)(C[C@@H](C3=CC(=O)OC3)OC(/C(=C/C)/C)=O)[C@H](C)C[C@@H]([C@@]21COC(C)=O)OC(C)=O)OC([C@@H](C)CC)=O

Computed Properties

  • Exact Mass: 632.32000
  • Monoisotopic Mass: 632.31966234g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 15
  • Complexity: 1270
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 144

Experimental Properties

  • Color/Form: Powder
  • Density: 1.21±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.048 g/l) (25 o C),
  • PSA: 144.03000
  • LogP: 4.40190

[5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
A56650-5mg
Ajugamarin H1
 122616-88-0 ,HPLC≥95%
5mg
 ￥4118.0 2023-09-08

[5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate Related Literature

Related Categories

122616-88-0 ([5-acetyloxy-4a-(acetyloxymethyl)-7,8-dimethyl-8-[2-(2-methylbut-2-enoyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] 2-methylbutanoate) Related Products

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