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(1S,2E,4S,6R,7E,11S,12S)-11,12-Epoxy-2,7-cembradiene-4,6,15-triol
SpectraBase Compound ID 2Vh5IEz96vb
InChI InChI=1S/C20H34O4/c1-14-6-7-17-20(5,24-17)11-9-15(18(2,3)22)8-10-19(4,23)13-16(21)12-14/h8,10,12,15-17,21-23H,6-7,9,11,13H2,1-5H3/b10-8+,14-12+/t15-,16-,17-,19+,20-/m0/s1
InChIKey BAWRSPCHBFWGSA-GTYUMWDWSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8U0lAmbcszw
Name (1S,2E,4S,6R,7E,11S,12S)-11,12-Epoxy-2,7-cembradiene-4,6,15-triol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.245709571 u
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-14-6-7-17-20(5,24-17)11-9-15(18(2,3)22)8-10-19(4,23)13-16(21)12-14/h8,10,12,15-17,21-23H,6-7,9,11,13H2,1-5H3/b10-8+,14-12+/t15-,16-,17-,19+,20-/m0/s1
InChIKey BAWRSPCHBFWGSA-GTYUMWDWSA-N
Molecular Weight 338.488 g/mol
SMILES [C@@]12(O[C@]2(CC\C(=C\[C@](O)(C[C@@](\C=C\[C@](C(O)(C)C)(CC1)[H])(O)C)[H])C)[H])C