| SpectraBase Compound ID | 39Hv3TTNiVY |
|---|---|
| InChI | InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25+,26+,31-,32+/m0/s1 |
| InChIKey | YDOTUXAWKBPQJW-KQLGGIPXSA-N |
| Mol Weight | 575.7 g/mol |
| Molecular Formula | C32H41N5O5 |
| Exact Mass | 575.310769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D7sGKF3CAWF |
|---|---|
| Name | ERGOKRYPTININE |
| CAS Registry Number | 511-10-4 |
| Compound Number | 3G-14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H41N5O5 |
| InChI | InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25+,26+,31-,32+/m0/s1 |
| InChIKey | YDOTUXAWKBPQJW-KQLGGIPXSA-N |
| Literature Reference Author | N.J.BACH,H.E.BOAZ,E.C.KORNFELD,C.J.CHANG,H.G.FLOSS,E.W.HAGAM AN,E.WENKERT |
| Literature Reference Citation | J.ORG.CHEM.,39,1272(1974) |
| Literature Reference DOI | 10.1021/jo00923a025 |
| Molecular Weight | 575.708 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UNIW12088 |