Butanoic acid, 3-methyl-, (1S,2′R,6R,7aS)-6,7a-dihydro-6-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-1-yl ester

CAS Registry Number®

53773-14-1

CAS Name

Butanoic acid, 3-methyl-, (1S,2′R,6R,7aS)-6,7a-dihydro-6-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-1-yl ester

Molecular Formula

C20H28O7

Molecular Mass

380.43

Cite this Page

Butanoic acid, 3-methyl-, (1S,2′R,6R,7aS)-6,7a-dihydro-6-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-1-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53773-14-1 (retrieved 2024-11-22) (CAS RN: 53773-14-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O7/c1-11(2)5-16(22)24-8-13-9-25-19(27-17(23)6-12(3)4)18-14(13)7-15(21)20(18)10-26-20/h7,9,11-12,15,18-19,21H,5-6,8,10H2,1-4H3/t15-,18-,19+,20-/m1/s1

InChIKey

InChIKey=XIQPIDYOUNZVOS-GEALJGNFSA-N

SMILES

O[C@H]1[C@@]2([C@@]3(C(=C1)C(COC(CC(C)C)=O)=CO[C@H]3OC(CC(C)C)=O)[H])CO2

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 3-methyl-, (1S,2′R,6R,7aS)-6,7a-dihydro-6-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-1-yl ester
  • Butanoic acid, 3-methyl-, 6,7a-dihydro-6-hydroxy-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2′-oxiran]-1-yl ester, [1S-(1α,6β,7β,7aα)]-
  • Spiro[cyclopenta[c]pyran-7(1H),2′-oxirane], butanoic acid deriv.
  • epi-7-Desacetylisovaltrate
  • 7-Epideacetylisovaltrate

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration