SpectraBase Compound ID | HRaYiQodRZd |
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InChI | InChI=1S/C97H156N3O25P/c1-5-7-9-11-13-15-17-19-21-23-25-33-49-105-51-53-107-55-57-109-59-61-111-63-65-113-67-69-115-71-73-117-75-77-119-79-81-122-126(123-82-80-120-78-76-118-74-72-116-70-68-114-66-64-112-62-60-110-58-56-108-54-52-106-50-34-26-24-22-20-18-16-14-12-10-8-6-2)125-91-83-94(100-48-47-93(99-96(100)102)98-95(101)85-35-29-27-30-36-85)124-92(91)84-121-97(86-37-31-28-32-38-86,87-39-43-89(103-3)44-40-87)88-41-45-90(104-4)46-42-88/h27-32,35-48,91-92,94H,5-26,33-34,49-84H2,1-4H3,(H,98,99,101,102)/t91-,92+,94+/m1/s1 |
InChIKey | LGBMDHDQWAWSDZ-NXJLTTKESA-N |
Mol Weight | 1795.3 g/mol |
Molecular Formula | C97H156N3O25P |
Exact Mass | 1794.076555 g/mol |
SpectraBase Spectrum ID | Jhv6pepTwt2 |
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Name | LGBMDHDQWAWSDZ-NXJLTTKESA-N |
Compound Number | 1307 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C97H156N3O25P |
InChI | InChI=1S/C97H156N3O25P/c1-5-7-9-11-13-15-17-19-21-23-25-33-49-105-51-53-107-55-57-109-59-61-111-63-65-113-67-69-115-71-73-117-75-77-119-79-81-122-126(123-82-80-120-78-76-118-74-72-116-70-68-114-66-64-112-62-60-110-58-56-108-54-52-106-50-34-26-24-22-20-18-16-14-12-10-8-6-2)125-91-83-94(100-48-47-93(99-96(100)102)98-95(101)85-35-29-27-30-36-85)124-92(91)84-121-97(86-37-31-28-32-38-86,87-39-43-89(103-3)44-40-87)88-41-45-90(104-4)46-42-88/h27-32,35-48,91-92,94H,5-26,33-34,49-84H2,1-4H3,(H,98,99,101,102)/t91-,92+,94+/m1/s1 |
InChIKey | LGBMDHDQWAWSDZ-NXJLTTKESA-N |
Literature Reference Author | W.ROBIEN |
Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
Solvent | CDCl3 |
Source File Reference | WRPR4368 |