(-)-Rotiorin

CAS Registry Number®

901309-48-6
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CAS Name

(-)-Rotiorin

Molecular Formula

C23H24O5

Molecular Mass

380.43

Cite this Page

(-)-Rotiorin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=901309-48-6 (retrieved 2024-09-20) (CAS RN: 901309-48-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    224-226 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H24O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19-20(15(4)24)22(26)28-23(19,5)21(25)18(16)12-27-17/h7-13H,6H2,1-5H3/b8-7+,14-9+/t13-,23+/m0/s1

InChIKey

InChIKey=CJMOMVNHRUTOJX-SEAFAFSMSA-N

SMILES

C[C@]12C(=C(C(C)=O)C(=O)O1)C=C3C(C2=O)=COC(/C=C/C(=C/[C@H](CC)C)/C)=C3

Canonical SMILES

O=C1OC2(C(=O)C3=COC(C=CC(=CC(C)CC)C)=CC3=CC2=C1C(=O)C)C

Other Names for this Substance

  • 2H-Furo[3,2-g][2]benzopyran-2,9(9aH)-dione, 3-acetyl-6-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-9a-methyl-, (9aR)-
  • 2H-Furo[3,2-g][2]benzopyran-2,9(9aH)-dione, 3-acetyl-6-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl]-9a-methyl-, (9aR)-
  • (9aR)-3-Acetyl-6-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-9a-methyl-2H-furo[3,2-g][2]benzopyran-2,9(9aH)-dione
  • (-)-Rotiorin