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[(1S,2R,4aR,5R,6S,7S,8aR)-7-acetoxy-1-hydroxy-1,5,6,8a-tetramethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate
SpectraBase Compound ID 62YBUM6lafu
InChI InChI=1S/C24H36O7/c1-14-18(30-15(2)25)13-23(5)19(7-8-20(24(23,6)28)31-16(3)26)22(14,4)11-9-17-10-12-29-21(17)27/h10,14,18-20,28H,7-9,11-13H2,1-6H3/t14-,18+,19-,20-,22+,23-,24-/m1/s1
InChIKey VAGLCJLVICMOSW-OIXPENTDSA-N
Mol Weight 436.5 g/mol
Molecular Formula C24H36O7
Exact Mass 436.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hZtIWXx4a
Name [(1S,2R,4aR,5R,6S,7S,8aR)-7-acetoxy-1-hydroxy-1,5,6,8a-tetramethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]decalin-2-yl] acetate
Appearance Colorless block crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O7
InChI InChI=1S/C24H36O7/c1-14-18(30-15(2)25)13-23(5)19(7-8-20(24(23,6)28)31-16(3)26)22(14,4)11-9-17-10-12-29-21(17)27/h10,14,18-20,28H,7-9,11-13H2,1-6H3/t14-,18+,19-,20-,22+,23-,24-/m1/s1
InChIKey VAGLCJLVICMOSW-OIXPENTDSA-N
Ionization Type EI
Molecular Weight 436.545 g/mol
Optical Rotation [a]D15.2 = -74.8 (c = 0.15, MeOH)
Reported Formula C24H36O7
SMILES O[C@]1([C@]2([C@](CC[C@]1(OC(C)=O)[H])([C@]([C@@]([C@](C2)(OC(=O)C)[H])(C)[H])(CCC=1C(OCC1)=O)C)[H])C)C
SPLASH splash10-05mo-6294000000-e8d45959c49779ba5fcd
Source of Spectrum CN103923076B
Wiley ID 1850745