| SpectraBase Compound ID | 2USaaUSJ6uM |
|---|---|
| InChI | InChI=1S/C60H66ClN9O19/c1-23(2)14-34(64-5)53(78)69-47-49(75)27-9-13-38(33(61)16-27)88-40-18-28-17-39(50(40)76)87-30-10-6-25(7-11-30)51(89-42-22-60(4,63)52(77)24(3)86-42)48-58(83)68-46(59(84)85)32-19-29(71)20-37(73)43(32)31-15-26(8-12-36(31)72)44(55(80)70-48)67-56(81)45(28)66-54(79)35(21-41(62)74)65-57(47)82/h6-13,15-20,23-24,34-35,42,44-49,51-52,64,71-73,75-77H,14,21-22,63H2,1-5H3,(H2,62,74)(H,65,82)(H,66,79)(H,67,81)(H,68,83)(H,69,78)(H,70,80)(H,84,85)/t24-,34+,35-,42-,44+,45+,46+,47+,48-,49+,51+,52-,60-/m0/s1 |
| InChIKey | SYBLUDJJSBRMLZ-MWECZCLFSA-N |
| Mol Weight | 1252.7 g/mol |
| Molecular Formula | C60H66ClN9O19 |
| Exact Mass | 1251.416349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CV9BYwjZ4yK |
|---|---|
| Name | PSEUDO-AGLYCONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H66ClN9O19 |
| InChI | InChI=1S/C60H66ClN9O19/c1-23(2)14-34(64-5)53(78)69-47-49(75)27-9-13-38(33(61)16-27)88-40-18-28-17-39(50(40)76)87-30-10-6-25(7-11-30)51(89-42-22-60(4,63)52(77)24(3)86-42)48-58(83)68-46(59(84)85)32-19-29(71)20-37(73)43(32)31-15-26(8-12-36(31)72)44(55(80)70-48)67-56(81)45(28)66-54(79)35(21-41(62)74)65-57(47)82/h6-13,15-20,23-24,34-35,42,44-49,51-52,64,71-73,75-77H,14,21-22,63H2,1-5H3,(H2,62,74)(H,65,82)(H,66,79)(H,67,81)(H,68,83)(H,69,78)(H,70,80)(H,84,85)/t24-,34+,35-,42-,44+,45+,46+,47+,48-,49+,51+,52-,60-/m0/s1 |
| InChIKey | SYBLUDJJSBRMLZ-MWECZCLFSA-N |
| Literature Reference Author | G.BATTA,F.SZTARICSKAI,K.E.KOEVER,C.RUEDEL,T.F.BERDNIKOVA |
| Literature Reference Citation | J.ANTIBIOTICS,44,1208(1991) |
| Literature Reference DOI | 10.7164/antibiotics.44.1208 |
| Molecular Weight | 1252.686 g/mol |
| Sample ID | 66601 |
| Solvent | D2O:ACETONE-D6 |