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10-Deoxy-17.eta.-hydroxyiridal
SpectraBase Compound ID JHIr5BPJh6s
InChI InChI=1S/C30H50O3/c1-22(2)11-8-12-23(3)19-27(33)20-24(4)13-9-17-30(7)26(6)15-16-28(25(5)21-32)29(30)14-10-18-31/h11,13,19,21,26-27,29,31,33H,8-10,12,14-18,20H2,1-7H3/b23-19+,24-13+,28-25-/t26-,27?,29-,30-/m1/s1
InChIKey KGNYOYQNEUDLHE-HQSYSPEASA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzzrPDeTasu
Name 10-Deoxy-17.eta.-hydroxyiridal
Alternate Name(s) (2Z)-2-{(2S,3R,4R)-2-(3-hydroxypropyl)-3-[(3E,7E)-6-hydroxy-4,8,12-trimethyl-3,7,11-tridecatrienyl]-3,4-dimethylcyclohexylidene}propanal
CAS Registry Number 138459-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-22(2)11-8-12-23(3)19-27(33)20-24(4)13-9-17-30(7)26(6)15-16-28(25(5)21-32)29(30)14-10-18-31/h11,13,19,21,26-27,29,31,33H,8-10,12,14-18,20H2,1-7H3/b23-19+,24-13+,28-25-/t26-,27?,29-,30-/m1/s1
InChIKey KGNYOYQNEUDLHE-HQSYSPEASA-N
Molecular Weight 458.727 g/mol
SMILES OC(C\C(=C\CC[C@@]1([C@@](CC\C([C@]1(CCCO)[H])=C/(C=O)C)(C)[H])C)C)\C=C\(CCC=C(C)C)C
SPLASH splash10-014i-9100000000-d2fd52d5e8bb43bb86d7
Source of Spectrum U-1992-272-12
Wiley ID 764049