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Ergokryptinine
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

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