Cas no 25090-72-6 (2-Butenoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester, (2E)-)

2-Butenoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester, (2E)- structure
25090-72-6 structure
Product Name:2-Butenoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester, (2E)-
CAS No:25090-72-6
MF:C27H36O7
MW:472.57054901123
CID:851432
PubChem ID:6444346
Update Time:2025-04-19

2-Butenoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester, (2E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester, (2E)-
    • 2-Butenoicacid, 2-methyl-,3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester, [1aR-[1aa,1bb,4ab,7aa,7ba,8a,9aa(E)]]-
    • Crotonic acid, 2-methyl-, 9a-ester with 1,1aa,1bb,4,4a,7aa,7b,8,9,9a-decahydro-4ab,7ba,9aa-trihydroxy-3-(hydroxymethyl)-1,1,6,8a-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one3-acetate, (E)- (8CI)
    • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 1,1aa,1bb,4,4a,7aa,7b,8,9,9a-decahydro-4ab,7ba,9aa-trihydroxy-3-(hydroxymethyl)-1,1,6,8a-tetramethyl-, 3-acetate9a-(2-methylcrotonate), (E)- (8CI)
    • 9aH-Cyclopropa[3,4]benz[1,2-e]azulene,2-butenoic acid deriv.
    • 12-Deoxyphorbol-13-angelate-20-acetate
    • 13-O-(2-Methyl-2-trans-butenoyl)-12-deoxyphorbrol20-acetate
    • 12-Deoxyphorbo 13-Angelate 20-Acetate
    • 12-DEOXYPHORBOL 13-ANGELATE 20-ACETATE
    • 2-Butenoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydro
    • 2-Butenoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yleste
    • 12-deoxy-phorbol,20-acetate-13-tiglate
    • 12-deoxyphorbol-13-tiglate-20-acetate
    • 12-DPAA
    • 12-Deoxy-phorbol, 20-acetate-13-tiglate
    • [(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
    • CHEMBL485825
    • 25090-72-6
    • DTXSID001282704
    • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-(acetoxymethyl)-1,1,6,8-alpha-tetramethyl-4a-beta,7b-alpha,9a-alpha-trihydroxy-, 9a-(2-methyl-2-butenoate), (E)-
    • ((1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo(8.5.0.02,6.011,13)pentadeca-3,8-dienyl) (E)-2-methylbut-2-enoate
    • Inchi： 1S/C27H36O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h8-10,16,19-21,31-32H,11-13H2,1-7H3/b14-8+/t16-,19+,20-,21-,25-,26+,27-/m1/s1
    • InChI Key： ZZTJICHINNSOQL-LWYYLCCUSA-N
    • SMILES： O(C(/C(=C/C)/C)=O)[C@@]12C[C@@H](C)[C@@]3([C@@H]4C=C(C)C([C@]4(CC(COC(C)=O)=C[C@H]3[C@@H]1C2(C)C)O)=O)O

Computed Properties

  • Exact Mass: 488.24100
  • Monoisotopic Mass: 472.246
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 6
  • Complexity: 1050
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 110A^2
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.1248 (rough estimate)
  • Boiling Point: 493.35°C (rough estimate)
  • Flash Point: 190.1°C
  • Refractive Index: 1.5800 (estimate)
  • PSA: 127.20000
  • LogP: 2.45020

2-Butenoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester, (2E)- Pricemore >>

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2-Butenoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester, (2E)- Related Literature

Related Categories

25090-72-6 (2-Butenoic acid,2-methyl-,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-ylester, (2E)-) Related Products

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