Novobiocin

CAS Registry Number®

303-81-1
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CAS Name

Novobiocin

Molecular Formula

C31H36N2O11

Molecular Mass

612.62

Cite this Page

Novobiocin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=303-81-1 (retrieved 2024-04-24) (CAS RN: 303-81-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1

InChIKey

InChIKey=YJQPYGGHQPGBLI-KGSXXDOSSA-N

SMILES

CC1=C2C(C(O)=C(NC(=O)C3=CC(CC=C(C)C)=C(O)C=C3)C(=O)O2)=CC=C1O[C@H]4[C@H](O)[C@H](OC(N)=O)[C@@H](OC)C(C)(C)O4

Canonical SMILES

O=C(OC1C(O)C(OC=2C=CC=3C(O)=C(NC(=O)C4=CC=C(O)C(=C4)CC=C(C)C)C(=O)OC3C2C)OC(C)(C)C1OC)N

Other Names for this Substance

  • Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)-
  • Novobiocin
  • Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl)-
  • Coumarin, 7-[4-(carbamoyloxy)tetrahydro-3-hydroxy-5-methoxy-6,6-dimethylpyran-2-yloxy]-4-hydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)benzamido]-8-methyl-
  • N-[7-[[3-O-(Aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide

Deleted or Replaced CAS Registry Numbers

8028-29-3, 47851-17-2, 107781-69-1, 894408-25-4, 1000144-74-0, 2244057-52-9

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