| SpectraBase Compound ID | 2WHYoh88RQg |
|---|---|
| InChI | InChI=1S/C50H90N4O26P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-41(55)75-39(35-73-83(68,69)72-34-33-51-37-31-32-38(54(60)61)44-43(37)52-80-53-44)40(76-42(56)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-74-84(70,71)79-48-45(57)46(58)49(77-81(62,63)64)50(47(48)59)78-82(65,66)67/h31-32,39-40,45-51,57-59H,3-30,33-36H2,1-2H3,(H,68,69)(H,70,71)(H2,62,63,64)(H2,65,66,67)/p-6/t39-,40-,45+,46-,47-,48+,49+,50+/m1/s1 |
| InChIKey | NRCMWGYWYUCORZ-VTQAWVOZSA-H |
| Mol Weight | 1281.1 g/mol |
| Molecular Formula | C50H84N4O26P4 |
| Exact Mass | 1280.432427 g/mol |
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| SpectraBase Spectrum ID | 4j9nvwfjoBf |
|---|---|
| Name | NRCMWGYWYUCORZ-VTQAWVOZSA-H |
| Compound Number | 12B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H84N4O26P4 |
| InChI | InChI=1S/C50H90N4O26P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-41(55)75-39(35-73-83(68,69)72-34-33-51-37-31-32-38(54(60)61)44-43(37)52-80-53-44)40(76-42(56)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-74-84(70,71)79-48-45(57)46(58)49(77-81(62,63)64)50(47(48)59)78-82(65,66)67/h31-32,39-40,45-51,57-59H,3-30,33-36H2,1-2H3,(H,68,69)(H,70,71)(H2,62,63,64)(H2,65,66,67)/p-6/t39-,40-,45+,46-,47-,48+,49+,50+/m1/s1 |
| InChIKey | NRCMWGYWYUCORZ-VTQAWVOZSA-H |
| Literature Reference Author | P.W.RZEPECKI,G.D.PRESTWICH |
| Literature Reference Citation | J.ORG.CHEM.,67,5454(2002) |
| Literature Reference DOI | 10.1021/jo011185a |
| Solvent | D2O |
| Source File Reference | UWSI21901 |