Butanoic acid, 3-methyl-, 6,7a-dihydro-4-[(3-hydroxy-3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl ester

CAS Registry Number®

96681-66-2

CAS Name

Butanoic acid, 3-methyl-, 6,7a-dihydro-4-[(3-hydroxy-3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl ester

Molecular Formula

C25H36O9

Molecular Mass

480.55

Cite this Page

Butanoic acid, 3-methyl-, 6,7a-dihydro-4-[(3-hydroxy-3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96681-66-2 (retrieved 2024-11-05) (CAS RN: 96681-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H36O9/c1-14(2)7-19(26)33-18-9-17-16(11-30-21(28)10-24(5,6)29)12-31-23(22(17)25(18)13-32-25)34-20(27)8-15(3)4/h9,12,14-15,18,22-23,29H,7-8,10-11,13H2,1-6H3

InChIKey

InChIKey=QHYRSOLVOPZTHU-UHFFFAOYSA-N

SMILES

O(C(CC(C)C)=O)C1C2(C3C(=C1)C(COC(CC(C)(C)O)=O)=COC3OC(CC(C)C)=O)CO2

Canonical SMILES

O=C(OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C32OC3)CC(O)(C)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, 6,7a-dihydro-4-[(3-hydroxy-3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxirane]-1,6-diyl ester
  • Spiro[cyclopenta[c]pyran-7(1H),2′-oxirane], butanoic acid deriv.

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