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(12R)-12-Acetoxy-15,16-epoxylabda-7,13(16),14-triene
SpectraBase Compound ID JjsANOlJ5yp
InChI InChI=1S/C22H32O3/c1-15-7-8-20-21(3,4)10-6-11-22(20,5)18(15)13-19(25-16(2)23)17-9-12-24-14-17/h7,9,12,14,18-20H,6,8,10-11,13H2,1-5H3/t18-,19+,20-,22+/m0/s1
InChIKey JQPHEXBZJLFBIP-CUXKYVRBSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJvpZnIh20V
Name (12R)-12-Acetoxy-15,16-epoxylabda-7,13(16),14-triene
Appearance Amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-15-7-8-20-21(3,4)10-6-11-22(20,5)18(15)13-19(25-16(2)23)17-9-12-24-14-17/h7,9,12,14,18-20H,6,8,10-11,13H2,1-5H3/t18-,19+,20-,22+/m0/s1
InChIKey JQPHEXBZJLFBIP-CUXKYVRBSA-N
Instrument Name Hewlett-Packard HP 5989A
Ionization Type EI positive ion
Literature Reference DOI 10.1021/np010590u
Molecular Weight 344.495 g/mol
Optical Rotation [a]D21 = +15.7 (c = 0.070, CHCl3)
SMILES C1CC(C)(C)[C@]2([H])CC=C(C)[C@](C[C@](c3cocc3)(OC(=O)C)[H])([C@@]2(C)C1)[H]
SPLASH splash10-03dm-4900000000-a8407f792c88fce327c9
Source of Spectrum G4-65-666-19
Wiley ID 1883647