(7S,9E,11S,12R,13S,14R,16R,17S,18S,26E)-26-{[(Benzyloxy)Amino]Methylene}-2,15,17,29-Tetrahydroxy-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-6,23,27-Trioxo-8,30-Dioxa-24-Azatetracyclo[23.3.1.1^4,7.0^{5, 28}]Triaconta-1(28),2,4,9,19,21,25(29)-Heptaen-13-Yl Acetate
[CAS# 13456-01-4]

Identification

• Name: (7S,9E,11S,12R,13S,14R,16R,17S,18S,26E)-26-{[(Benzyloxy)Amino]Methylene}-2,15,17,29-Tetrahydroxy-11-Methoxy-3,7,12,14,16,18,22-Heptamethyl-6,23,27-Trioxo-8,30-Dioxa-24-Azatetracyclo[23.3.1.1^4,7.0^{5, 28}]Triaconta-1(28),2,4,9,19,21,25(29)-Heptaen-13-Yl Acetate
• Synonyms: (2S,16S,17S,18R,19R,20R,21S,22R,23S)-8-{(E)-[(Benzyloxy)imino]methyl}-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-21-yl acetate; 2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 3-formyl-5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, O-benzyloxime
• Molecular Formula: C₄₅H₅₄N₂O₁₃
• Molecular Weight: 830.92
• CAS Registry Number: 13456-01-4
• SMILES: O=C/2c3c5C(=O)[C@]4(O/C=C/[C@H](OC)[C@H]([C@@H](OC(=O)C)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](/C=C\C=C(/C(=O)NC(/C\2=C\NOCc1ccccc1)=C(\O)c3c(O)c(c5O4)C)C)C)C)C
• InChI: 1S/C45H54N2O13/c1-22-14-13-15-23(2)44(55)47-35-30(20-46-58-21-29-16-11-10-12-17-29)39(52)32-33(40(35)53)38(51)27(6)42-34(32)43(54)45(8,60-42)57-19-18-31(56-9)24(3)41(59-28(7)48)26(5)37(50)25(4)36(22)49/h10-20,22,24-26,31,36-37,41,46,49-51,53H,21H2,1-9H3,(H,47,55)/b14-13+,19-18+,23-15+,30-20+/t22-,24-,25-,26-,31+,36+,37+,41-,45+/m1/s1
• InChIKey: SSMVQBAZZBDLTN-KSKHYZEVSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Refractive index: 1.629 (Cal.)