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Dedihydroxypseduosarsasapogenin, 3,27-diiodo-

View entire compound with spectra: 1 NMR, and 1 FTIR

Dedihydroxypseduosarsasapogenin, 3,27-diiodo-
SpectraBase Compound ID FaBnfGqrpZ8
InChI InChI=1S/C27H44I2O/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25H,5-15H2,1-4H3
InChIKey LSIJQHVMIXPJRA-UHFFFAOYSA-N
Mol Weight 638.5 g/mol
Molecular Formula C27H44I2O
Exact Mass 638.148156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IdigVqy6ISY
Name Dedihydroxypseduosarsasapogenin, 3,27-diiodo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 638.148156036 u
Formula C27H44I2O
InChI InChI=1S/C27H44I2O/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25H,5-15H2,1-4H3
InChIKey LSIJQHVMIXPJRA-UHFFFAOYSA-N
Molecular Weight 638.457 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C(O1)CCC(CI)C)C)C)C)I