Monascin

CAS Registry Number®

21516-68-7

CAS Name

Monascin

Molecular Formula

C21H26O5

Molecular Mass

358.43

Cite this Page

Monascin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21516-68-7 (retrieved 2024-11-22) (CAS RN: 21516-68-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    145 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H26O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10,16,18H,4,6-7,9,11-12H2,1-3H3/b8-5+/t16-,18+,21-/m1/s1

InChIKey

InChIKey=XXKNHBAFFJINCK-RVEJDSBJSA-N

SMILES

C[C@]12[C@@]([C@@H](C(CCCCC)=O)C(=O)O1)(CC3=C(C2=O)COC(/C=C/C)=C3)[H]

Canonical SMILES

O=C1OC2(C(=O)C3=C(C=C(OC3)C=CC)CC2C1C(=O)CCCCC)C

Other Names for this Substance

  • 2H-Furo[3,2-g][2]benzopyran-2,9(3H)-dione, 3a,4,8,9a-tetrahydro-9a-methyl-3-(1-oxohexyl)-6-(1E)-1-propen-1-yl-, (3S,3aR,9aR)-
  • 2H-Furo[3,2-g][2]benzopyran-2,9(3H)-dione, 3-hexanoyl-3a,4,8,9a-tetrahydro-9a-methyl-6-propenyl-
  • Monascin
  • 2H-Furo[3,2-g][2]benzopyran-2,9(3H)-dione, 3a,4,8,9a-tetrahydro-9a-methyl-3-(1-oxohexyl)-6-(1-propenyl)-, [3S-[3α,3aα,6(E),9aβ]]-
  • 2H-Furo[3,2-g][2]benzopyran-2,9(3H)-dione, 3a,4,8,9a-tetrahydro-9a-methyl-3-(1-oxohexyl)-6-(1E)-1-propenyl-, (3S,3aR,9aR)-

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Deleted or Replaced CAS Registry Numbers

26939-54-8

CAS INSIGHTSTM
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