4-({5-[(4,5-Dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]-6-methyltetrahydro-2H-pyran-3-yl}oxy)-6-{[(7Z,11Z)-3-formyl-5,25-dihydroxy-9-({5-[(methoxycarbonyl)amino]-4,6-dimethyl-4-nitrotetrahydro-2H- pyran-2-yl}oxy)-8,12,18,20,22-pentamethyl-23,27-dioxo-26-oxapentacyclo[22.2.1.0^1,6.0^13,22.0^16,21]heptacosa-3,7,11,14,24-pentaen-17-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl acetate
[CAS# 75831-97-9]

Identification

• Name: 4-({5-[(4,5-Dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy]-6-methyltetrahydro-2H-pyran-3-yl}oxy)-6-{[(7Z,11Z)-3-formyl-5,25-dihydroxy-9-({5-[(methoxycarbonyl)amino]-4,6-dimethyl-4-nitrotetrahydro-2H- pyran-2-yl}oxy)-8,12,18,20,22-pentamethyl-23,27-dioxo-26-oxapentacyclo[22.2.1.0^1,6.0^13,22.0^16,21]heptacosa-3,7,11,14,24-pentaen-17-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl acetate
• Synonyms: Antibiotic DC 11A2; DC-11-42; Tetrocarcin B
• Molecular Formula: C₆₁H₈₆N₂O₂₂
• Molecular Weight: 1199.34
• CAS Registry Number: 75831-97-9
• SMILES: [O-][N+](=O)C1(C)CC(OC(C)C1NC(=O)OC)OC2C(=C/C9C8(OC(/O)=C(/C(=O)C6(C)C(C(=C/C2)\C)/C=C\C7C(OC5OC(C(OC(=O)C)C(OC4CC(OC3OC(C)C(O)C(O)C3)C(OC4)C)C5)C)C(C)CC(C)C67)C8=O)CC(/C=O)=C\C9O)\C
• InChI: 1S/C61H86N2O22/c1-27-13-16-43(82-48-24-59(10,63(73)74)54(34(8)79-48)62-58(72)75-12)28(2)18-40-41(66)19-36(25-64)23-61(40)56(70)49(57(71)85-61)55(69)60(11)39(27)15-14-38-50(60)29(3)17-30(4)52(38)84-47-22-45(53(33(7)78-47)80-35(9)65)81-37-20-44(31(5)76-26-37)83-46-21-42(67)51(68)32(6)77-46/h13-15,18-19,25,29-34,37-48,50-54,66-68,71H,16-17,20-24,26H2,1-12H3,(H,62,72)/b27-13-,28-18-
• InChIKey: VCAFWAWKVZHGEH-PMTBWCLTSA-N

Properties

• Density: 1.36g/cm³ (Cal.)