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ent-2.alpha.-Acetoxylabda-8(17),12Z,14-triene
SpectraBase Compound ID Bhahn7UMAwj
InChI InChI=1S/C22H34O2/c1-8-15(2)9-11-19-16(3)10-12-20-21(5,6)13-18(24-17(4)23)14-22(19,20)7/h8-9,18-20H,1,3,10-14H2,2,4-7H3/b15-9-/t18-,19-,20-,22+/m1/s1
InChIKey FURHYCBPWRCHKE-AVUJTOBSSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FK89WifD2ce
Name ent-2.alpha.-Acetoxylabda-8(17),12Z,14-triene
Appearance Colorless thick oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-8-15(2)9-11-19-16(3)10-12-20-21(5,6)13-18(24-17(4)23)14-22(19,20)7/h8-9,18-20H,1,3,10-14H2,2,4-7H3/b15-9-/t18-,19-,20-,22+/m1/s1
InChIKey FURHYCBPWRCHKE-AVUJTOBSSA-N
Instrument Name Hewlett-Packard 5973
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/np020493g
Molecular Weight 330.512 g/mol
Optical Rotation [a]D20 = -10.6 (c = 0.541, CHCl3)
SMILES [C@]1(C[C@@]2([C@@](C(C1)(C)C)(CCC([C@]2(C\C=C\(C)C=C)[H])=C)[H])C)(OC(=O)C)[H]
SPLASH splash10-054o-9820000000-78f25584730fb1599a67
Source of Spectrum G4-66-495-10
Wiley ID 1881339