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(2S)-2-[(R)-1-[(Benzyloxy)-1-formylethyl]-N-[(2E,6E)-(4R,8R,9R)-8,9-(isopropylidenedioxy)-4,7-dimethyl-2,6-decadien-1-yl]pyrrolidine
SpectraBase Compound ID GTiIlVgOLHs
InChI InChI=1S/C29H42INO4/c1-21(14-15-22(2)27-23(3)34-28(4,5)35-27)17-25(30)18-31-16-10-13-26(31)29(6,20-32)33-19-24-11-8-7-9-12-24/h7-9,11-12,15,17,20-21,23,26-27H,10,13-14,16,18-19H2,1-6H3/b22-15+,25-17+/t21-,23-,26+,27-,29+/m1/s1
InChIKey QMNCPWIZZJOKRD-GORBQLPVSA-N
Mol Weight 595.6 g/mol
Molecular Formula C29H42INO4
Exact Mass 595.215854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vylKSHOH21
Name (2S)-2-[(R)-1-[(Benzyloxy)-1-formylethyl]-N-[(2E,6E)-(4R,8R,9R)-8,9-(isopropylidenedioxy)-4,7-dimethyl-2,6-decadien-1-yl]pyrrolidine
Alternate Name(s) (R)-2-Benzyloxy-2-{(S)-1-[(2E,6E)-(R)-2-iodo-4-methyl-7-((R)-2,2,5-trimethyl-[1,3]dioxolan-4-yl)-octa-2,6-dienyl]-pyrrolidin-2-yl}-propionaldehyde 2-(benzyloxy)-2-{(2S)-1-[(2E,4R,6E)-2-iodo-4-methyl-7-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-2,6-octadienyl]pyrrolidinyl}propanal
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Formula C29H42INO4
InChI InChI=1S/C29H42INO4/c1-21(14-15-22(2)27-23(3)34-28(4,5)35-27)17-25(30)18-31-16-10-13-26(31)29(6,20-32)33-19-24-11-8-7-9-12-24/h7-9,11-12,15,17,20-21,23,26-27H,10,13-14,16,18-19H2,1-6H3/b22-15+,25-17+/t21-,23-,26+,27-,29+/m1/s1
InChIKey QMNCPWIZZJOKRD-GORBQLPVSA-N
Molecular Weight 595.562 g/mol
SMILES [C@]1(N(CCC1)C\C(=C/[C@@](C\C=C\([C@]1(OC(C)(C)O[C@@]1(C)[H])[H])C)(C)[H])I)([C@@](OCc1ccccc1)(C=O)C)[H]
SPLASH splash10-0230-0910400000-e60d3cf0b62803aba1c6
Source of Spectrum C-115-11408-82
Wiley ID 1409736