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(1S,4R,5R,7S,8R,9S,10S)-7,8,9-Triacetyloxy-1-deuteriouruap-3(12)-ene
SpectraBase Compound ID wSPBdwCxVP
InChI InChI=1S/C21H30O6/c1-10-8-14-9-21(7)15(10)16(14)20(5,6)18(26-12(3)23)17(25-11(2)22)19(21)27-13(4)24/h14-19H,1,8-9H2,2-7H3/t14-,15-,16+,17-,18+,19+,21-/m0/s1/i14D
InChIKey UUGAASCOWHNKOT-RWMMACMTSA-N
Mol Weight 379.47 g/mol
Molecular Formula C21H29DO6
Exact Mass 379.210515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GAV29WfclK
Name (1S,4R,5R,7S,8R,9S,10S)-7,8,9-Triacetyloxy-1-deuteriouruap-3(12)-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29DO6
InChI InChI=1S/C21H30O6/c1-10-8-14-9-21(7)15(10)16(14)20(5,6)18(26-12(3)23)17(25-11(2)22)19(21)27-13(4)24/h14-19H,1,8-9H2,2-7H3/t14-,15-,16+,17-,18+,19+,21-/m0/s1/i14D
InChIKey UUGAASCOWHNKOT-RWMMACMTSA-N
Instrument Name Hewlett-Packard 5989A or Hewlett Packard 5989B or Saturn 2000
Ionization Type EI
Literature Reference DOI 10.1021/np0201570
Molecular Weight 379.471 g/mol
SMILES [C@@]12([C@]3([C@](C[C@@]1([C@@]([C@]([C@](C3(C)C)(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])C)(CC2=C)[D])[H])[H]
SPLASH splash10-066u-5690000000-04dd36dbf83395ec809f
Source of Spectrum G4-65-1545-20
Wiley ID 1883478