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2H,16H-1,24-Etheno-6,10:11,15-dimethenopyrido[2',3':17,18]oxacycloei cosino[2,3,4-ij]isoquinoline, rodiasine deriv.
SpectraBase Compound ID 9tlMPHQE3iR
InChI InChI=1S/C37H40N2O6/c1-39-13-11-24-19-34(43-4)36(44-5)37-35(24)29(39)17-22-6-8-30(40)26(14-22)27-15-21(7-9-31(27)41-2)16-28-25-20-33(45-37)32(42-3)18-23(25)10-12-38-28/h6-9,14-15,18-20,28-29,38,40H,10-13,16-17H2,1-5H3/t28-,29-/m0/s1
InChIKey AKWOOAJQRQRUCU-VMPREFPWSA-N
Mol Weight 608.7 g/mol
Molecular Formula C37H40N2O6
Exact Mass 608.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uh6JgQIuK
Name 2H,16H-1,24-Etheno-6,10:11,15-dimethenopyrido[2',3':17,18]oxacycloei cosino[2,3,4-ij]isoquinoline, rodiasine deriv.
CAS Registry Number 116127-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40N2O6
InChI InChI=1S/C37H40N2O6/c1-39-13-11-24-19-34(43-4)36(44-5)37-35(24)29(39)17-22-6-8-30(40)26(14-22)27-15-21(7-9-31(27)41-2)16-28-25-20-33(45-37)32(42-3)18-23(25)10-12-38-28/h6-9,14-15,18-20,28-29,38,40H,10-13,16-17H2,1-5H3/t28-,29-/m0/s1
InChIKey AKWOOAJQRQRUCU-VMPREFPWSA-N
Molecular Weight 608.735 g/mol
SMILES N1CCc2cc(c3cc2[C@@]1(Cc1ccc(c(-c2cc(ccc2O)C[C@]2(c4c(O3)c(c(cc4CCN2C)OC)OC)[H])c1)OC)[H])OC
SPLASH splash10-0a4i-0202009000-76c4f29103d8e7e8d880
Source of Spectrum X2-54-681-332
Synonyms Rodiasine, O12,2'-didemethyl-O12'-methyl-, (1'.alpha.)- (+)-2'-norguattaguianine 2'-Demethyl-1'-epifuniferine 2'-Demethylguattaguianine 2'-nor-guattaguianine
Wiley ID 1604127