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13-Labdene-2,8,15-triol (ent-2A,8A,13E)-form), trimethyl ether
SpectraBase Compound ID I3yC2QiDLZt
InChI InChI=1S/C23H42O3/c1-17(12-14-24-6)9-10-20-22(4)16-18(25-7)15-21(2,3)19(22)11-13-23(20,5)26-8/h12,18-20H,9-11,13-16H2,1-8H3/b17-12-/t18-,19-,20+,22-,23+/m1/s1
InChIKey WASIAWMFQATVOU-ILDFIHNLSA-N
Mol Weight 366.6 g/mol
Molecular Formula C23H42O3
Exact Mass 366.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ED4tpvqNLyj
Name 13-Labdene-2,8,15-triol (ent-2A,8A,13E)-form), trimethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.313395209 u
Formula C23H42O3
InChI InChI=1S/C23H42O3/c1-17(12-14-24-6)9-10-20-22(4)16-18(25-7)15-21(2,3)19(22)11-13-23(20,5)26-8/h12,18-20H,9-11,13-16H2,1-8H3/b17-12-/t18-,19-,20+,22-,23+/m1/s1
InChIKey WASIAWMFQATVOU-ILDFIHNLSA-N
Molecular Weight 366.586 g/mol
SMILES [C@@]1(CC([C@]2(CC[C@]([C@]([C@@]2(C1)C)(CC\C(=C/COC)C)[H])(C)OC)[H])(C)C)(OC)[H]