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rel-6'''',7''''-Dihydrojuliprosopine
SpectraBase Compound ID 5x2ng0ZOIhu
InChI InChI=1S/C40H77N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h32-42,44-45H,3-31H2,1-2H3/t32-,33-,34?,35?,36+,37+,38?,39-,40-/m0/s1
InChIKey ASTLJRUFIMHQBP-AXJJLORSSA-N
Mol Weight 632.1 g/mol
Molecular Formula C40H77N3O2
Exact Mass 631.601579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbxYkXkJUuN
Name rel-6'''',7''''-Dihydrojuliprosopine
Alternate Name(s) (2S,2'S,3S,3'S,6R,6'R)-6,6'-((octahydroindolizine-6,8-diyl)bis(decane-10,1-diyl))bis(2-methylpiperidin-3-ol)
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Formula C40H77N3O2
InChI InChI=1S/C40H77N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h32-42,44-45H,3-31H2,1-2H3/t32-,33-,34?,35?,36+,37+,38?,39-,40-/m0/s1
InChIKey ASTLJRUFIMHQBP-AXJJLORSSA-N
Literature Reference DOI 10.1002/hlca.19800630738
Molecular Weight 632.075 g/mol
SMILES N1[C@](CCCCCCCCCCC2CC(CCCCCCCCCC[C@@]3(CC[C@@]([C@@](N3)(C)[H])(O)[H])[H])C3N(C2)CCC3)(CC[C@@]([C@@]1(C)[H])(O)[H])[H]
SPLASH splash10-03di-7703095000-e22c755c9747ba02c9b4
Source of Spectrum H-63-2127-5
Wiley ID 1797524