| SpectraBase Compound ID | B1iZlZkRHCx |
|---|---|
| InChI | InChI=1S/C65H110N2O52S/c68-2-15-24(77)27(80)37(90)54(104-15)100-11-65(12-101-55-38(91)28(81)25(78)16(3-69)105-55,13-102-56-39(92)29(82)26(79)17(4-70)106-56)67-64(120)66-1-14-47-30(83)40(93)57(103-14)114-48-18(5-71)108-59(42(95)32(48)85)116-50-20(7-73)110-61(44(97)34(50)87)118-52-22(9-75)112-63(46(99)36(52)89)119-53-23(10-76)111-62(45(98)35(53)88)117-51-21(8-74)109-60(43(96)33(51)86)115-49-19(6-72)107-58(113-47)41(94)31(49)84/h14-63,68-99H,1-13H2,(H2,66,67,120)/t14-,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47-,48+,49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59+,60-,61+,62+,63+/m0/s1 |
| InChIKey | IGBWOQGREDBGDS-FBDDUMDBSA-N |
| Mol Weight | 1783.6 g/mol |
| Molecular Formula | C65H110N2O52S |
| Exact Mass | 1782.574533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DjLEgbBiegl |
|---|---|
| Name | IGBWOQGREDBGDS-FBDDUMDBSA-N |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H110N2O52S |
| InChI | InChI=1S/C65H110N2O52S/c68-2-15-24(77)27(80)37(90)54(104-15)100-11-65(12-101-55-38(91)28(81)25(78)16(3-69)105-55,13-102-56-39(92)29(82)26(79)17(4-70)106-56)67-64(120)66-1-14-47-30(83)40(93)57(103-14)114-48-18(5-71)108-59(42(95)32(48)85)116-50-20(7-73)110-61(44(97)34(50)87)118-52-22(9-75)112-63(46(99)36(52)89)119-53-23(10-76)111-62(45(98)35(53)88)117-51-21(8-74)109-60(43(96)33(51)86)115-49-19(6-72)107-58(113-47)41(94)31(49)84/h14-63,68-99H,1-13H2,(H2,66,67,120)/t14-,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47-,48+,49-,50+,51-,52+,53+,54-,55-,56-,57-,58-,59+,60-,61+,62+,63+/m0/s1 |
| InChIKey | IGBWOQGREDBGDS-FBDDUMDBSA-N |
| Literature Reference Author | J.M.BENITO,M.GOMEZ-GARCIA,C.O.MELLET,I.BAUSSANNE,J.DEFAYE,J. M.G.FERNANDEZ |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,10355(2004) |
| Literature Reference DOI | 10.1021/ja047864v |
| Molecular Weight | 1783.631 g/mol |
| Sample ID | 27888 |
| Solvent | D2O |