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(4R,5R,7S,8R,9S,10S,11S)-7,8,9-Triacetyloxyjiquilp-3(12)-ene

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(4R,5R,7S,8R,9S,10S,11S)-7,8,9-Triacetyloxyjiquilp-3(12)-ene
SpectraBase Compound ID 1DCZCp7PswA
InChI InChI=1S/C21H30O6/c1-10-8-14-9-15-16(10)21(14,7)19(27-13(4)24)17(25-11(2)22)18(20(15,5)6)26-12(3)23/h14-19H,1,8-9H2,2-7H3/t14-,15-,16-,17+,18+,19-,21+/m0/s1
InChIKey ZMESIASPXJCZQJ-UKDLGEHVSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8L7gp01eqPw
Name (4R,5R,7S,8R,9S,10S,11S)-7,8,9-Triacetyloxyjiquilp-3(12)-ene
Appearance fine needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-10-8-14-9-15-16(10)21(14,7)19(27-13(4)24)17(25-11(2)22)18(20(15,5)6)26-12(3)23/h14-19H,1,8-9H2,2-7H3/t14-,15-,16-,17+,18+,19-,21+/m0/s1
InChIKey ZMESIASPXJCZQJ-UKDLGEHVSA-N
Instrument Name Hewlett-Packard 5989A or Hewlett Packard 5989B or Saturn 2000
Ionization Type EI
Literature Reference DOI 10.1021/np0201570
Molecular Weight 378.465 g/mol
Optical Rotation [a]D = +19 (589 nm), +19 (578 nm), +23 (546 nm), +38 (436 nm), +61 (365 nm) (c = 0.20, CHCl3)
Reported Formula C21H30O6
SMILES [C@]12([C@]3(C([C@@]([C@]([C@@]([C@@]2([C@@](CC1=C)(C3)[H])C)(OC(=O)C)[H])(OC(C)=O)[H])(OC(C)=O)[H])(C)C)[H])[H]
SPLASH splash10-066u-4690000000-4f2fd3e7e4870b21f5b9
Source of Spectrum G4-65-1544-7
Wiley ID 1883482