(+)-Heraclenol

CAS Registry Number®

31575-93-6

CAS Name

(+)-Heraclenol

Molecular Formula

C16H16O6

Molecular Mass

304.29

Cite this Page

(+)-Heraclenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26091-76-9 (retrieved 2024-11-22) (CAS RN: 31575-93-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    129-130 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3/t11-/m1/s1

InChIKey

InChIKey=FOINLJRVEBYARJ-LLVKDONJSA-N

SMILES

O(C[C@H](C(C)(C)O)O)C=1C2=C(C=C3C1OC=C3)C=CC(=O)O2

Canonical SMILES

O=C1OC=2C(C=C1)=CC=3C=COC3C2OCC(O)C(O)(C)C

Other Names for this Substance

  • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-, stereoisomer
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-, (R)-
  • 5-Benzofuranacrylic acid, 7-(2,3-dihydroxy-3-methylbutoxy)-6-hydroxy-, δ-lactone
  • 9-[(2R)-2,3-Dihydroxy-3-methylbutoxy]-7H-furo[3,2-g][1]benzopyran-7-one

View All

Deleted or Replaced CAS Registry Numbers

2817-09-6, 26091-76-9