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(1R,3S,4S,5S,7S,8R,9S,10R,11R)-7,8,9-Triacetyloxy-1-deuteriolongipinan-1-ol
SpectraBase Compound ID EE8T9xBJyPi
InChI InChI=1S/C21H32O7/c1-9-8-13(25)15-16-14(9)21(15,7)19(28-12(4)24)17(26-10(2)22)18(20(16,5)6)27-11(3)23/h9,13-19,25H,8H2,1-7H3/t9-,13-,14-,15-,16+,17+,18+,19+,21-/m0/s1/i13D
InChIKey DFBRMSUZYLADCT-VFCXYHEBSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H31DO7
Exact Mass 397.22108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vOKGA9T9Vo
Name (1R,3S,4S,5S,7S,8R,9S,10R,11R)-7,8,9-Triacetyloxy-1-deuteriolongipinan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31DO7
InChI InChI=1S/C21H32O7/c1-9-8-13(25)15-16-14(9)21(15,7)19(28-12(4)24)17(26-10(2)22)18(20(16,5)6)27-11(3)23/h9,13-19,25H,8H2,1-7H3/t9-,13-,14-,15-,16+,17+,18+,19+,21-/m0/s1/i13D
InChIKey DFBRMSUZYLADCT-VFCXYHEBSA-N
Instrument Name Hewlett-Packard 5989A or Hewlett Packard 5989B or Saturn 2000
Ionization Type EI
Literature Reference DOI 10.1021/np0201570
Molecular Weight 397.486 g/mol
SMILES O[C@@]1([C@@]2([C@]3([C@@]([C@@]([C@](C([C@@]2([C@@]3([C@](C1)(C)[H])[H])[H])(C)C)(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])C)[H])[D]
SPLASH splash10-000i-3290000000-cc299f178f9a3935e54c
Source of Spectrum G4-65-1545-19
Wiley ID 1883477