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(1S,2S,6R,8S,9R,10S,13S,14S)-2,6,10-trimethyl-13-(propan-2-yl)-15,16-dioxatetracyclo[6.6.1.1(2,6).0(9,14)]hexadecan-10-ol

View entire compound with spectra: 1 MS (GC)

(1S,2S,6R,8S,9R,10S,13S,14S)-2,6,10-trimethyl-13-(propan-2-yl)-15,16-dioxatetracyclo[6.6.1.1(2,6).0(9,14)]hexadecan-10-ol
SpectraBase Compound ID 5kbYnhDnKO2
InChI InChI=1S/C20H34O3/c1-12(2)13-7-10-19(4,21)16-14-11-18(3)8-6-9-20(5,23-18)17(22-14)15(13)16/h12-17,21H,6-11H2,1-5H3/t13-,14-,15-,16-,17-,18+,19-,20-/m0/s1
InChIKey IJBBNEUVYQQXJH-UXGBMSEJSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xx6rafIci
Name (1S,2S,6R,8S,9R,10S,13S,14S)-2,6,10-trimethyl-13-(propan-2-yl)-15,16-dioxatetracyclo[6.6.1.1(2,6).0(9,14)]hexadecan-10-ol
Appearance clear oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-12(2)13-7-10-19(4,21)16-14-11-18(3)8-6-9-20(5,23-18)17(22-14)15(13)16/h12-17,21H,6-11H2,1-5H3/t13-,14-,15-,16-,17-,18+,19-,20-/m0/s1
InChIKey IJBBNEUVYQQXJH-UXGBMSEJSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np0204500
Molecular Weight 322.489 g/mol
Optical Rotation [a]D20 = -11.0 (c = 0.6, CHCl3)
SMILES O[C@@]1([C@]2([C@@]3(C[C@@]4(O[C@]([C@]([C@]2([C@@](CC1)(C(C)C)[H])[H])(O3)[H])(CCC4)C)C)[H])[H])C
SPLASH splash10-00rx-9411000000-61e86ff198c9da2fa4d8
Source of Spectrum G4-66-362-12
Wiley ID 1881282