Cas no 126453-63-2 (2-Pentenoic acid,3-methyl-,(1R,3aS,5S,7R,7aR)-1-[(1S)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-ylester, (2E)-rel-)

2-Pentenoic acid,3-methyl-,(1R,3aS,5S,7R,7aR)-1-[(1S)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-ylester, (2E)-rel- structure
126453-63-2 structure
Product Name:2-Pentenoic acid,3-methyl-,(1R,3aS,5S,7R,7aR)-1-[(1S)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-ylester, (2E)-rel-
CAS No:126453-63-2
MF:C23H34O5
MW:390.513067722321
CID:188796
PubChem ID:6443977
Update Time:2025-04-19

2-Pentenoic acid,3-methyl-,(1R,3aS,5S,7R,7aR)-1-[(1S)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-ylester, (2E)-rel- Chemical and Physical Properties

Names and Identifiers

    • 2-Pentenoic acid,3-methyl-,(1R,3aS,5S,7R,7aR)-1-[(1S)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-ylester, (2E)-rel-
    • [(1S,3aS,5S,7R,7aR)-1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
    • 2-Pentenoic acid,3-methyl-,(1R,3aS,5S,7R,7aR)-1-[(1S)-1-(acetyloxy)ethyl]octahydro-4-methylene...
    • 2-Pentenoic acid,3-methyl-,(1R,3aS,5S,7R,7aR)-1-[(1S)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-ind
    • farfaratin
    • [(1S,3aS,5S,7R,7aR)-1-(1-acetoxyethyl)-7-isopropyl-4-methylene-2-oxo-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
    • 126453-63-2
    • Inchi： 1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+/t15?,17-,18-,20+,22+,23-/m1/s1
    • InChI Key： CFUPNMDNSQIWBB-MTLBRCJSSA-N
    • SMILES： O(C(/C=C(\C)/CC)=O)[C@@H]1C(=C)[C@H]2CC([C@H](C(C)OC(C)=O)[C@@H]2[C@@H](C(C)C)C1)=O

Computed Properties

  • Exact Mass: 390.240624
  • Monoisotopic Mass: 390.240624
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 8
  • Complexity: 675
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 4.1
  • Topological Polar Surface Area: 69.7

Experimental Properties

  • Density: 1.07
  • Boiling Point: 471.3°C at 760 mmHg
  • Flash Point: 200.7°C
  • Refractive Index: 1.501

2-Pentenoic acid,3-methyl-,(1R,3aS,5S,7R,7aR)-1-[(1S)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-ylester, (2E)-rel- Related Literature

126453-63-2 (2-Pentenoic acid,3-methyl-,(1R,3aS,5S,7R,7aR)-1-[(1S)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-ylester, (2E)-rel-) Related Products

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