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(2S,2'S,5'S,7'S,9'S,10'S,12'R)-2-(2'-(iodomethyl)-2',10',12'-trimethyl-1',6',8'-trioxaspiro[4.1.5.3]pentadec-13'-en-9'-yl)butan-1-ol

View entire compound with spectra: 1 NMR

(2S,2'S,5'S,7'S,9'S,10'S,12'R)-2-(2'-(iodomethyl)-2',10',12'-trimethyl-1',6',8'-trioxaspiro[4.1.5.3]pentadec-13'-en-9'-yl)butan-1-ol
SpectraBase Compound ID G2qhGi95QTX
InChI InChI=1S/C20H33IO4/c1-15-13-16(2)20(23-17(15)7-4-5-12-22)9-6-8-19(25-20)11-10-18(3,14-21)24-19/h6,9,15-17,22H,4-5,7-8,10-14H2,1-3H3/t15-,16+,17?,18-,19?,20+/m0/s1
InChIKey KGPLMYQKPGEMLU-DYALILANSA-N
Mol Weight 464.4 g/mol
Molecular Formula C20H33IO4
Exact Mass 464.142355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIghagykqa3
Name (2S,2'S,5'S,7'S,9'S,10'S,12'R)-2-(2'-(Iodomethyl)-2',10',12'-trimethyl-1',6',8'-trioxaspiro[4.1.5.3]pentadec-13'-en-9'-yl)butan-1-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.142354539 u
Formula C20H33IO4
InChI InChI=1S/C20H33IO4/c1-15-13-16(2)20(23-17(15)7-4-5-12-22)9-6-8-19(25-20)11-10-18(3,14-21)24-19/h6,9,15-17,22H,4-5,7-8,10-14H2,1-3H3/t15-,16+,17?,18-,19?,20+/m0/s1
InChIKey KGPLMYQKPGEMLU-DYALILANSA-N
Molecular Weight 464.384 g/mol
SMILES [C@]12(OC3(O[C@@](CI)(C)CC3)CC=C1)OC(CCCCO)[C@](C[C@]2(C)[H])(C)[H]