| SpectraBase Compound ID | LMYG6CGDipb |
|---|---|
| InChI | InChI=1S/C63H75N10O13PS/c1-39(2)73(40(3)4)87(83-32-16-31-64)86-52-34-57(72-37-42(6)59(75)68-62(72)77)84-53(52)35-65-60(69-88(78,79)55-22-15-19-48-49(55)20-14-21-51(48)70(7)8)66-50-33-56(71-36-41(5)58(74)67-61(71)76)85-54(50)38-82-63(43-17-12-11-13-18-43,44-23-27-46(80-9)28-24-44)45-25-29-47(81-10)30-26-45/h11-15,17-30,36-37,39-40,50,52-54,56-57H,16,32-35,38H2,1-10H3,(H2,65,66,69)(H,67,74,76)(H,68,75,77)/t50-,52+,53-,54+,56+,57-,87?/m0/s1 |
| InChIKey | GKLKCHOGRNTXJD-SWGOLLAMSA-N |
| Mol Weight | 1243.4 g/mol |
| Molecular Formula | C63H75N10O13PS |
| Exact Mass | 1242.497341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8gRD9ePXwsO |
|---|---|
| Name | Isomer-#2 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1242.497340674 u |
| Formula | C63H75N10O13PS |
| InChI | InChI=1S/C63H75N10O13PS/c1-39(2)73(40(3)4)87(83-32-16-31-64)86-52-34-57(72-37-42(6)59(75)68-62(72)77)84-53(52)35-65-60(69-88(78,79)55-22-15-19-48-49(55)20-14-21-51(48)70(7)8)66-50-33-56(71-36-41(5)58(74)67-61(71)76)85-54(50)38-82-63(43-17-12-11-13-18-43,44-23-27-46(80-9)28-24-44)45-25-29-47(81-10)30-26-45/h11-15,17-30,36-37,39-40,50,52-54,56-57H,16,32-35,38H2,1-10H3,(H2,65,66,69)(H,67,74,76)(H,68,75,77)/t50-,52+,53-,54+,56+,57-,87?/m0/s1 |
| InChIKey | GKLKCHOGRNTXJD-SWGOLLAMSA-N |
| Molecular Weight | 1243.384 g/mol |
| SMILES | [C@]1(N2C(=O)NC(=O)C(C)=C2)(C[C@@](OP(OCCC#N)N(C(C)C)C(C)C)([C@@](O1)(CN\C(N[C@]1(C[C@](N2C(=O)NC(=O)C(C)=C2)(O[C@@]1(COC(C1=CC=CC=C1)(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1)[H])[H])[H])=N/S(=O)(=O)C1=CC=CC=2C(N(C)C)=CC=CC12)[H])[H])[H] |