Benanomicin B
CAS Registry Number®
116249-66-2
No image available.
CAS Name
Benanomicin BMolecular Formula
C39H42N2O18Molecular Mass
826.75Cite this Page
Benanomicin B. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=116249-66-2 (retrieved ) (CAS RN: 116249-66-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
220-225 °C (decomp)
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C39H42N2O18/c1-10-5-17-23(30(48)20(10)36(52)41-11(2)37(53)54)22-15(8-16-24(31(22)49)27(45)14-6-13(55-4)7-18(42)21(14)26(16)44)28(46)34(17)58-39-33(51)35(25(40)12(3)57-39)59-38-32(50)29(47)19(43)9-56-38/h5-8,11-12,19,25,28-29,32-35,38-39,42-43,46-51H,9,40H2,1-4H3,(H,41,52)(H,53,54)/t11-,12-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+/m1/s1
InChIKey
InChIKey=IHIIRQILYAXIOH-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](N)[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(N)C(OC7OCC(O)C(O)C7O)C6O)C2C=C1C)C
Other Names for this Substance
- D-Alanine, N-[[(5S,6S)-5-[(4-amino-4,6-dideoxy-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-[(4-amino-4,6-dideoxy-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-[(4-Amino-4,6-dideoxy-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 B
