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SANDARACOPIMARATE,METHYLESTER
SpectraBase Compound ID H807nNaweTY
InChI InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1
InChIKey BGCXKCIPDDNDEV-GBMAXXPESA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hix474Nnvmw
Name Methyl sandaracopimarate
CAS Registry Number 1686-54-0
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 316.240230268 u
Formula C21H32O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1
InChIKey BGCXKCIPDDNDEV-GBMAXXPESA-N
Molecular Weight 316.485 g/mol
Nominal Mass 316 u
Number of Peaks 188
SMILES C[C@]12[C@]([C@@](C(OC)=O)(C)CCC2)(CCC=2[C@@]1(CC[C@@](C2)(C=C)C)[H])[H]
SPLASH splash10-00dl-4911000000-1242c4381791c6090e29
Source PICEA ABIES, ME ESTERS OF DITERPENE ACIDS
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000959