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(2S)-2-[(R)-1-[(Benzyloxy)-1-(hydroxymethyl)ethyl]-N-[(2E,6E)-(4R,8R,9R)-8,9-(isopropylidenedioxy)-4,7-dimethyl-2,6-decadien-1-yl]pyrrolidine

View entire compound with spectra: 1 MS (GC)

(2S)-2-[(R)-1-[(Benzyloxy)-1-(hydroxymethyl)ethyl]-N-[(2E,6E)-(4R,8R,9R)-8,9-(isopropylidenedioxy)-4,7-dimethyl-2,6-decadien-1-yl]pyrrolidine
SpectraBase Compound ID 3RbLWvKbpLk
InChI InChI=1S/C29H44INO4/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/h7-9,11-12,15,17,21,23,26-27,32H,10,13-14,16,18-20H2,1-6H3/b22-15+,25-17+/t21?,23?,26-,27?,29-/m0/s1
InChIKey KJWLMFKQMDHOTI-WLXJEPLMSA-N
Mol Weight 597.6 g/mol
Molecular Formula C29H44INO4
Exact Mass 597.231504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6h1B35teXJX
Name (2S)-2-[(R)-1-[(Benzyloxy)-1-(hydroxymethyl)ethyl]-N-[(2E,6E)-(4R,8R,9R)-8,9-(isopropylidenedioxy)-4,7-dimethyl-2,6-decadien-1-yl]pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44INO4
InChI InChI=1S/C29H44INO4/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/h7-9,11-12,15,17,21,23,26-27,32H,10,13-14,16,18-20H2,1-6H3/b22-15+,25-17+/t21?,23?,26-,27?,29-/m0/s1
InChIKey KJWLMFKQMDHOTI-WLXJEPLMSA-N
Molecular Weight 597.578 g/mol
SMILES OC[C@@]([C@]1(N(C\C(=C/C(C\C=C\(C2OC(C)(C)OC2C)C)C)I)CCC1)[H])(OCc1ccccc1)C
SPLASH splash10-001i-0411920000-b5a8b18fd3100ce18424
Source of Spectrum C-115-11408-81
Synonyms (2R)-2-(benzyloxy)-2-{(2S)-1-[(2E,6E)-2-iodo-4-methyl-7-(2,2,5-trimethyl-1,3-dioxolan-4-yl)-2,6-octadienyl]pyrrolidinyl}-1-propanol
Wiley ID 1409887