| SpectraBase Compound ID | HkjhFqEgg43 |
|---|---|
| InChI | InChI=1S/C57H99N9O30/c1-46(2,3)58-37(88)55(38(89)59-47(4,5)6,39(90)60-48(13-67,14-68)15-69)10-34-7-35(11-56(40(91)61-49(16-70,17-71)18-72,41(92)62-50(19-73,20-74)21-75)42(93)63-51(22-76,23-77)24-78)9-36(8-34)12-57(43(94)64-52(25-79,26-80)27-81,44(95)65-53(28-82,29-83)30-84)45(96)66-54(31-85,32-86)33-87/h7-9,67-87H,10-33H2,1-6H3,(H,58,88)(H,59,89)(H,60,90)(H,61,91)(H,62,92)(H,63,93)(H,64,94)(H,65,95)(H,66,96) |
| InChIKey | CACMKAIZJGPARV-UHFFFAOYSA-N |
| Mol Weight | 1390.5 g/mol |
| Molecular Formula | C57H99N9O30 |
| Exact Mass | 1389.649783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsjYtsxaJY1 |
|---|---|
| Name | Benzene(9)/3/-arborol fragment |
| Comments | STRUCTURE TOO LARGE, HYDROXYL-GROUPS ON C52 TO C57 ELIMINATED |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C57H99N9O30 |
| InChI | InChI=1S/C57H99N9O30/c1-46(2,3)58-37(88)55(38(89)59-47(4,5)6,39(90)60-48(13-67,14-68)15-69)10-34-7-35(11-56(40(91)61-49(16-70,17-71)18-72,41(92)62-50(19-73,20-74)21-75)42(93)63-51(22-76,23-77)24-78)9-36(8-34)12-57(43(94)64-52(25-79,26-80)27-81,44(95)65-53(28-82,29-83)30-84)45(96)66-54(31-85,32-86)33-87/h7-9,67-87H,10-33H2,1-6H3,(H,58,88)(H,59,89)(H,60,90)(H,61,91)(H,62,92)(H,63,93)(H,64,94)(H,65,95)(H,66,96) |
| InChIKey | CACMKAIZJGPARV-UHFFFAOYSA-N |
| Literature Reference | G.R. Newkome, Z. Yao, G.R.Baker, J. Am. Chem. Soc. 108, 849 (1986). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |