| SpectraBase Compound ID | DtDKuX1kfNK |
|---|---|
| InChI | InChI=1S/C42H58N2O12/c1-20-10-13-30(55-31-18-40(7,44(51)52)35(25(6)54-31)43-39(50)53-9)21(2)15-27-16-26(19-45)24(5)17-42(27)37(48)32(38(49)56-42)36(47)41(8)29(20)12-11-28-33(41)22(3)14-23(4)34(28)46/h10-12,15-16,22-25,27-31,33-35,45-46,48H,13-14,17-19H2,1-9H3,(H,43,50)/b20-10+,21-15+/t22?,23?,24?,25-,27?,28?,29?,30?,31+,33?,34?,35+,40+,41?,42?/m1/s1 |
| InChIKey | MLFFTLJFBITXTG-JYQDSHIESA-N |
| Mol Weight | 782.9 g/mol |
| Molecular Formula | C42H58N2O12 |
| Exact Mass | 782.398975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CE6AgOe2P1a |
|---|---|
| Name | O.beta.-D-Kijanosyl-kijanolide |
| CAS Registry Number | 78798-21-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H58N2O12 |
| InChI | InChI=1S/C42H58N2O12/c1-20-10-13-30(55-31-18-40(7,44(51)52)35(25(6)54-31)43-39(50)53-9)21(2)15-27-16-26(19-45)24(5)17-42(27)37(48)32(38(49)56-42)36(47)41(8)29(20)12-11-28-33(41)22(3)14-23(4)34(28)46/h10-12,15-16,22-25,27-31,33-35,45-46,48H,13-14,17-19H2,1-9H3,(H,43,50)/b20-10+,21-15+/t22?,23?,24?,25-,27?,28?,29?,30?,31+,33?,34?,35+,40+,41?,42?/m1/s1 |
| InChIKey | MLFFTLJFBITXTG-JYQDSHIESA-N |
| Literature Reference | A.K. Mallams, M.S. Puar, R.R. Rossman, J. Am. Chem. Soc. 103, 3940 (1981). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |