| SpectraBase Compound ID | 2Q3FwvhRFD5 |
|---|---|
| InChI | InChI=1S/C50H71N13O27P2/c1-24-15-60(47(77)56-43(24)75)18-37(69)58(9-11-91(81,82)85-23-31-26(67)13-35(87-31)52-32-3-6-62(49(79)54-32)45-41(73)39(71)29(21-65)88-45)8-5-51-34(68)17-59(38(70)19-61-16-25(2)44(76)57-48(61)78)10-12-92(83,84)90-27-14-36(86-28(27)20-64)53-33-4-7-63(50(80)55-33)46-42(74)40(72)30(22-66)89-46/h3-4,6-7,15-16,26-31,35-36,39-42,45-46,64-67,71-74H,5,8-14,17-23H2,1-2H3,(H,51,68)(H,81,82)(H,83,84)(H,52,54,79)(H,53,55,80)(H,56,75,77)(H,57,76,78)/t26-,27+,28-,29+,30-,31+,35+,36-,39+,40-,41+,42-,45+,46-/m0/s1 |
| InChIKey | NTZCLYUFIBHARO-RSFWVMMNSA-N |
| Mol Weight | 1348.1 g/mol |
| Molecular Formula | C50H71N13O27P2 |
| Exact Mass | 1347.405758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4A0pBQNwrin |
|---|---|
| Name | NTZCLYUFIBHARO-RSFWVMMNSA-N |
| Compound Number | III |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H69N13O27P2 |
| InChI | InChI=1S/C50H71N13O27P2/c1-24-15-60(47(77)56-43(24)75)18-37(69)58(9-11-91(81,82)85-23-31-26(67)13-35(87-31)52-32-3-6-62(49(79)54-32)45-41(73)39(71)29(21-65)88-45)8-5-51-34(68)17-59(38(70)19-61-16-25(2)44(76)57-48(61)78)10-12-92(83,84)90-27-14-36(86-28(27)20-64)53-33-4-7-63(50(80)55-33)46-42(74)40(72)30(22-66)89-46/h3-4,6-7,15-16,26-31,35-36,39-42,45-46,64-67,71-74H,5,8-14,17-23H2,1-2H3,(H,51,68)(H,81,82)(H,83,84)(H,52,54,79)(H,53,55,80)(H,56,75,77)(H,57,76,78)/t26-,27+,28-,29+,30-,31+,35+,36-,39+,40-,41+,42-,45+,46-/m0/s1 |
| InChIKey | NTZCLYUFIBHARO-RSFWVMMNSA-N |
| Literature Reference Author | P.YU,W.WANG,H.ZHANG,X.YANG,T.C.LIANG,X.GAO |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,107(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00230-3 |
| Molecular Weight | 1346.116 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU22013 |