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(1R)-4-[(1E,3E,5E,7E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,11,13,15,17,19,23-decaen-9-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enol
SpectraBase Compound ID AlqP3GJeh0B
InChI InChI=1S/C40H54O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1
InChIKey FOBXZQPXXVZBDZ-JQIGKHAGSA-N
Mol Weight 550.9 g/mol
Molecular Formula C40H54O
Exact Mass 550.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECqx7qWacyv
Name (1R)-4-[(1E,3E,5E,7E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,11,13,15,17,19,23-decaen-9-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enol
CAS Registry Number 86004-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54O
InChI InChI=1S/C40H54O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h14-19,21-28,38,41H,13,20,29-30H2,1-10H3/b21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1
InChIKey FOBXZQPXXVZBDZ-JQIGKHAGSA-N
Molecular Weight 550.871 g/mol
SMILES O[C@]1(CC(C(=C(C1)C)\C=C\C(=C\C=C\C(=C\C#C\C=C\(\C=C\C=C\(\C=C\C=C\(CCC=C(C)C)C)C)C)C)C)(C)C)[H]
SPLASH splash10-014i-9000000000-f70d84b8f67be5371840
Source of Spectrum H-66-511-0
Synonyms (1R)-4-[(1E,3E,5E,7E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,11,13,15,17,19,23-decaen-9-ynyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
Wiley ID 1405806