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Spiro[1H,15aH-furo[2',3':7,8]indolizino[8,1-cd]carbazole-2(2aH),6'(7'H)-[4H,5H,15aH,16H]furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole], vobtusine deriv.
SpectraBase Compound ID 37jfQVxfmdP
InChI InChI=1S/C44H52N4O7/c1-51-30-10-6-8-28-32(30)48-24-41(22-25-21-39-14-19-54-31(39)11-16-46-17-13-43(28,36(39)46)44(25,48)50)37-40(15-20-55-37)23-26(34(49)52-2)33-42(27-7-4-5-9-29(27)45-33)12-18-47(35(40)42)38(41)53-3/h4-10,25,31,35-38,45,50H,11-24H2,1-3H3/t25-,31?,35-,36-,37+,38?,39+,40-,41-,42-,43+,44+/m0/s1
InChIKey JSDXVNXFPLJIPV-BUPUYCHXSA-N
Mol Weight 748.9 g/mol
Molecular Formula C44H52N4O7
Exact Mass 748.3836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22sZDPkMU1Q
Name Spiro[1H,15AH-furo[2',3':7,8]indolizino[8,1-cd]carbazole-2(2ah),6'(7'H)-[4H,5H,15AH,16H]furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole], vobtusine deriv.
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 748.383600023 u
Formula C44H52N4O7
InChI InChI=1S/C44H52N4O7/c1-51-30-10-6-8-28-32(30)48-24-41(22-25-21-39-14-19-54-31(39)11-16-46-17-13-43(28,36(39)46)44(25,48)50)37-40(15-20-55-37)23-26(34(49)52-2)33-42(27-7-4-5-9-29(27)45-33)12-18-47(35(40)42)38(41)53-3/h4-10,25,31,35-38,45,50H,11-24H2,1-3H3/t25-,31?,35-,36-,37+,38?,39+,40-,41-,42-,43+,44+/m0/s1
InChIKey JSDXVNXFPLJIPV-BUPUYCHXSA-N
Molecular Weight 748.921 g/mol
SMILES [C@]123[C@]4(N(C[C@]5(C[C@]4([H])C[C@@]46[C@@]1(N(CCC4OCC6)CC3)[H])C(N1CC[C@@]34[C@@]1([C@@]1([C@]5(OCC1)[H])CC(=C3NC=1C4=CC=CC1)C(=O)OC)[H])OC)C1=C2C=CC=C1OC)O