Mitorubrin

CAS Registry Number®

3403-71-2

CAS Name

Mitorubrin

Molecular Formula

C21H18O7

Molecular Mass

382.36

Cite this Page

Mitorubrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3403-71-2 (retrieved 2024-11-22) (CAS RN: 3403-71-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H18O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-10,22-23H,1-3H3/b5-4+/t21-/m1/s1

InChIKey

InChIKey=ZLULUXWJVBHEMS-KTBYTZPXSA-N

SMILES

O=C1C=2C(C=C(/C=C/C)OC2)=CC(=O)[C@]1(OC(=O)C3=C(C)C=C(O)C=C3O)C

Canonical SMILES

O=C(OC1(C(=O)C=C2C=C(OC=C2C1=O)C=CC)C)C=3C(O)=CC(O)=CC3C

Other Names for this Substance

  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (7R)-7,8-dihydro-7-methyl-6,8-dioxo-3-(1E)-1-propen-1-yl-6H-2-benzopyran-7-yl ester
  • β-Resorcylic acid, 6-methyl-, ester with 7-hydroxy-7-methyl-3-propenyl-6H-2-benzopyran-6,8(7H)-dione
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, 7,8-dihydro-7-methyl-6,8-dioxo-3-(1-propenyl)-6H-2-benzopyran-7-yl ester, [R-(E)]-
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (7R)-7,8-dihydro-7-methyl-6,8-dioxo-3-(1E)-1-propenyl-6H-2-benzopyran-7-yl ester
  • Mitorubrin

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CAS INSIGHTSTM
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