Novobiocic acid

CAS Registry Number®

485-23-4
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CAS Name

Novobiocic acid

Molecular Formula

C22H21NO6

Molecular Mass

395.41

Cite this Page

Novobiocic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=485-23-4 (retrieved 2024-05-18) (CAS RN: 485-23-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167-175 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H21NO6/c1-11(2)4-5-13-10-14(6-8-17(13)25)21(27)23-18-19(26)15-7-9-16(24)12(3)20(15)29-22(18)28/h4,6-10,24-26H,5H2,1-3H3,(H,23,27)

InChIKey

InChIKey=NMCFFEJWADWZTI-UHFFFAOYSA-N

SMILES

OC=1C=2C(OC(=O)C1NC(=O)C3=CC(CC=C(C)C)=C(O)C=C3)=C(C)C(O)=CC2

Canonical SMILES

O=C1OC2=C(C=CC(O)=C2C)C(O)=C1NC(=O)C3=CC=C(O)C(=C3)CC=C(C)C

Other Names for this Substance

  • Benzamide, N-(4,7-dihydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)-
  • Benzamide, N-(4,7-dihydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-
  • Coumarin, 4,7-dihydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)benzamido]-8-methyl-
  • N-(4,7-Dihydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide
  • Novobiocic acid

Deleted or Replaced CAS Registry Numbers

3818-65-3

CAS INSIGHTSTM
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