(3aR,6R,7aR)-Tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-2,5(3H,4H)-benzofurandione

CAS Registry Number®

89026-40-4

CAS Name

(3aR,6R,7aR)-Tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-2,5(3H,4H)-benzofurandione

Molecular Formula

C15H20O4

Molecular Mass

264.32

Cite this Page

(3aR,6R,7aR)-Tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-2,5(3H,4H)-benzofurandione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89026-40-4 (retrieved 2025-03-12) (CAS RN: 89026-40-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    109-110 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C15H20O4/c1-9(16)5-4-6-15(3)8-12-11(7-13(15)17)10(2)14(18)19-12/h11-12H,2,4-8H2,1,3H3/t11-,12-,15-/m1/s1

InChIKey

InChIKey=MIRSLSRVCIOISZ-LALPHHSUSA-N

SMILES

C=C1[C@@]2([C@@](C[C@](CCCC(C)=O)(C)C(=O)C2)(OC1=O)[H])[H]

Canonical SMILES

O=C1OC2CC(C(=O)CC2C1=C)(C)CCCC(=O)C

Other Names for this Substance

  • 2,5(3H,4H)-Benzofurandione, tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-, (3aR,6R,7aR)-
  • 2,5(3H,4H)-Benzofurandione, tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-, [3aR-(3aα,6α,7aα)]-
  • (3aR,6R,7aR)-Tetrahydro-6-methyl-3-methylene-6-(4-oxopentyl)-2,5(3H,4H)-benzofurandione
  • (+)-Umbellifolide
  • Umbellifolide

CAS INSIGHTSTM
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