Novobiocic acid
CAS Registry Number®
485-23-4
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CAS Name
Novobiocic acidMolecular Formula
C22H21NO6Molecular Mass
395.41Cite this Page
Novobiocic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=485-23-4 (retrieved ) (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