Benanomicin A

CAS Registry Number®

116249-65-1

CAS Name

Benanomicin A

Molecular Formula

C39H41NO19

Molecular Mass

827.74

Cite this Page

Benanomicin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116249-65-1 (retrieved 2024-11-22) (CAS RN: 116249-65-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    242-244 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H41NO19/c1-10-5-17-23(30(48)20(10)36(52)40-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(41)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(43)12(3)57-39)59-38-32(50)29(47)19(42)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,41-43,46-51H,9H2,1-4H3,(H,40,52)(H,53,54)/t11-,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+/m1/s1

InChIKey

InChIKey=GOYUMGXIFMGKFN-NUVDETJMSA-N

SMILES

OC1=C2C=3C(=CC4=C(C3O)C(=O)C=5C(C4=O)=C(O)C=C(OC)C5)[C@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@@H](O)[C@@H](C)O6)C2=CC(C)=C1C(N[C@@H](C(O)=O)C)=O

Canonical SMILES

O=C(O)C(NC(=O)C1=C(O)C=2C3=C(O)C=4C(=O)C5=CC(OC)=CC(O)=C5C(=O)C4C=C3C(O)C(OC6OC(C)C(O)C(OC7OCC(O)C(O)C7O)C6O)C2C=C1C)C

Other Names for this Substance

  • D-Alanine, N-[[(5S,6S)-5-[(6-deoxy-3-O-β-D-xylopyranosyl-β-D-galactopyranosyl)oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-
  • D-Alanine, N-[[5-[(6-deoxy-3-O-β-D-xylopyranosyl-β-D-galactopyranosyl)oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-, (5S-trans)-
  • Benzo[a]naphthacene, D-alanine deriv.
  • N-[[(5S,6S)-5-[(6-Deoxy-3-O-β-D-xylopyranosyl-β-D-galactopyranosyl)oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-D-alanine
  • Benanomicin A

CAS INSIGHTSTM
Targeted protein degrader structure, illustration