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8-Hydroxyiridal

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8-Hydroxyiridal
SpectraBase Compound ID KZWNWcVKtlF
InChI InChI=1S/C30H50O4/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-18-29(6)26(17-11-19-31)28(25(5)21-32)27(33)20-30(29,7)34/h12,14,16,21,26-27,31,33-34H,8-11,13,15,17-20H2,1-7H3/b23-14+,24-16+,28-25+/t26-,27?,29+,30+/m1/s1
InChIKey KNWFQWCIRGQNFD-CPMKQBEJSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CjhQw94W9Y
Name 8-Hydroxyiridal
Alternate Name(s) (2E)-2-{(2R,3S,4S)-4,6-dihydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]cyclohexylidene}propanal
CAS Registry Number 138459-52-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-18-29(6)26(17-11-19-31)28(25(5)21-32)27(33)20-30(29,7)34/h12,14,16,21,26-27,31,33-34H,8-11,13,15,17-20H2,1-7H3/b23-14+,24-16+,28-25+/t26-,27?,29+,30+/m1/s1
InChIKey KNWFQWCIRGQNFD-CPMKQBEJSA-N
Molecular Weight 474.726 g/mol
SMILES OC1\C([C@@](CCCO)([C@@]([C@](C1)(O)C)(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)[H])=C/(C=O)C
SPLASH splash10-0159-9100000000-e6e9ab1177745a3fba97
Source of Spectrum U-1992-272-8
Wiley ID 764051