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N-OCTYLNORTADALAFIL;(6R,12AR)-6-(1,3-BENZODIOXOL-5-YL)-2-OCTYL-2,3,6,7,12,12A-HEXAHYDROPYRAZINO-[1',2':1,6]-PYRIDO-[3,4-B]-INDOL-1,4-DIONE

View entire compound with spectra: 1 NMR

N-OCTYLNORTADALAFIL;(6R,12AR)-6-(1,3-BENZODIOXOL-5-YL)-2-OCTYL-2,3,6,7,12,12A-HEXAHYDROPYRAZINO-[1',2':1,6]-PYRIDO-[3,4-B]-INDOL-1,4-DIONE
SpectraBase Compound ID F6uqhYqjDDd
InChI InChI=1S/C29H33N3O4/c1-2-3-4-5-6-9-14-31-17-26(33)32-23(29(31)34)16-21-20-10-7-8-11-22(20)30-27(21)28(32)19-12-13-24-25(15-19)36-18-35-24/h7-8,10-13,15,23,28,30H,2-6,9,14,16-18H2,1H3/t23-,28-/m1/s1
InChIKey JIMWYJMUPCVOFA-QDPGVEIFSA-N
Mol Weight 487.6 g/mol
Molecular Formula C29H33N3O4
Exact Mass 487.247107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74Pnvt0fEnc
Name N-OCTYLNORTADALAFIL;(6R,12AR)-6-(1,3-BENZODIOXOL-5-YL)-2-OCTYL-2,3,6,7,12,12A-HEXAHYDROPYRAZINO-[1',2':1,6]-PYRIDO-[3,4-B]-INDOL-1,4-DIONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33N3O4
InChI InChI=1S/C29H33N3O4/c1-2-3-4-5-6-9-14-31-17-26(33)32-23(29(31)34)16-21-20-10-7-8-11-22(20)30-27(21)28(32)19-12-13-24-25(15-19)36-18-35-24/h7-8,10-13,15,23,28,30H,2-6,9,14,16-18H2,1H3/t23-,28-/m1/s1
InChIKey JIMWYJMUPCVOFA-QDPGVEIFSA-N
Literature Reference Author T.HASEGAWA,K.TAKAHASHI,M.SAIJO,T.ISHI,T.NAGATA,M.KURIHARA,Y. GODA,N.KAWAHARA
Literature Reference Citation CHEM.PHARM.BULL.,57,185(2009)
Literature Reference DOI 10.1248/cpb.57.185
Molecular Weight 487.599 g/mol
Sample ID 1971
Solvent CD3OD