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[(1S,2R,3R,4S)-2-(3-hydroxy-1,5-dimethyl-2-oxo-hex-4-enyl)-4-methyl-3-[3-methyl-5-(3-methyl-2-furyl)pent-2-enoyl]cyclopentyl] acetate

View entire compound with spectra: 1 MS (GC)

[(1S,2R,3R,4S)-2-(3-hydroxy-1,5-dimethyl-2-oxo-hex-4-enyl)-4-methyl-3-[3-methyl-5-(3-methyl-2-furyl)pent-2-enoyl]cyclopentyl] acetate
SpectraBase Compound ID E5WXgvGOjG1
InChI InChI=1S/C27H38O6/c1-15(2)12-22(30)27(31)19(6)26-24(33-20(7)28)14-18(5)25(26)21(29)13-16(3)8-9-23-17(4)10-11-32-23/h10-13,18-19,22,24-26,30H,8-9,14H2,1-7H3/t18-,19?,22?,24-,25-,26-/m0/s1
InChIKey UWVWXKCAJDLHJJ-DAFFUPOTSA-N
Mol Weight 458.6 g/mol
Molecular Formula C27H38O6
Exact Mass 458.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J49MEGvTQ8V
Name [(1S,2R,3R,4S)-2-(3-hydroxy-1,5-dimethyl-2-oxo-hex-4-enyl)-4-methyl-3-[3-methyl-5-(3-methyl-2-furyl)pent-2-enoyl]cyclopentyl] acetate
Appearance White needle-like solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O6
InChI InChI=1S/C27H38O6/c1-15(2)12-22(30)27(31)19(6)26-24(33-20(7)28)14-18(5)25(26)21(29)13-16(3)8-9-23-17(4)10-11-32-23/h10-13,18-19,22,24-26,30H,8-9,14H2,1-7H3/t18-,19?,22?,24-,25-,26-/m0/s1
InChIKey UWVWXKCAJDLHJJ-DAFFUPOTSA-N
Ionization Type EI
Molecular Weight 458.595 g/mol
Optical Rotation [a]D14.8 = -79.3 (c = 0.13, MeOH)
Reported Formula C27H38O6
SMILES OC(C(=O)C(C)[C@@]1([H])[C@@](OC(C)=O)(C[C@](C)([C@]1(C(C=C(CCc1c(C)cco1)C)=O)[H])[H])[H])C=C(C)C
SPLASH splash10-000t-9201000000-ad3021fbede86583c10f
Source of Spectrum CN102659803A
Wiley ID 1844861