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3-Hydroxy-6-(3-hydroxy-1-oxocyclohex-2-en-2-yl)-2-[3,4-(isopropylidenedioxy)decyl]cyclohex-2-en-1-one
SpectraBase Compound ID 5tho6lKHapd
InChI InChI=1S/C25H38O6/c1-4-5-6-7-11-21-22(31-25(2,3)30-21)15-13-16-18(26)14-12-17(24(16)29)23-19(27)9-8-10-20(23)28/h17,21-22,26-27H,4-15H2,1-3H3/t17?,21-,22-/m0/s1
InChIKey BGRGAOCHUMYTLS-VNQANMTISA-N
Mol Weight 434.6 g/mol
Molecular Formula C25H38O6
Exact Mass 434.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7msf5sPCu1P
Name 3-Hydroxy-6-(3-hydroxy-1-oxocyclohex-2-en-2-yl)-2-[3,4-(isopropylidenedioxy)decyl]cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O6
InChI InChI=1S/C25H38O6/c1-4-5-6-7-11-21-22(31-25(2,3)30-21)15-13-16-18(26)14-12-17(24(16)29)23-19(27)9-8-10-20(23)28/h17,21-22,26-27H,4-15H2,1-3H3/t17?,21-,22-/m0/s1
InChIKey BGRGAOCHUMYTLS-VNQANMTISA-N
Molecular Weight 434.573 g/mol
SMILES OC1=C(C2C(C(=C(CC2)O)CC[C@@]2(OC(C)(C)O[C@]2(CCCCCC)[H])[H])=O)C(CCC1)=O
SPLASH splash10-014s-0191000000-77091621a9fe32c55dff
Source of Spectrum SO-0-123-10
Synonyms 2-[2-(5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-3-hydroxy-6-(2-hydroxy-6-oxocyclohex-1-en-1-yl)cyclohex-2-en-1-one 3-Hydroxy-6-(3-hydroxy-1-oxocyclohex-2-en-2-yl)-2-[1-(phenylthio)-3,4-(isopropylidenedioxy)decyl]cyclohex-2-en-1-one 3-[2-((4S,5S)-5-Hexyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-ethyl]-4,6'-dihydroxy-bicyclohexyl-3,6'-diene-2,2'-dione
Wiley ID 864052