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Torreyayunnin
SpectraBase Compound ID FX7rPblhssZ
InChI InChI=1S/C20H26O4/c1-10(2)11-8-12-13(21)9-14-19(3,4)15(22)6-7-20(14,5)16(12)18(24)17(11)23/h8,10,14,23-24H,6-7,9H2,1-5H3/t14-,20-/m0/s1
InChIKey WDKBIUNFLNEEEH-XOBRGWDASA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DM3N60VkwEX
Name Torreyayunnin
Appearance Pale yellow needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-10(2)11-8-12-13(21)9-14-19(3,4)15(22)6-7-20(14,5)16(12)18(24)17(11)23/h8,10,14,23-24H,6-7,9H2,1-5H3/t14-,20-/m0/s1
InChIKey WDKBIUNFLNEEEH-XOBRGWDASA-N
Ionization Type EI
Literature Reference DOI 10.1021/np030117b
Molecular Weight 330.424 g/mol
Optical Rotation [a]D19.8 = +87.09 (c = 0.24, MeOH)
Reported Formula C20H26O4
SMILES Oc1c(cc2C(C[C@]3(C(C(CC[C@@]3(c2c1O)C)=O)(C)C)[H])=O)C(C)C
SPLASH splash10-00lr-5398000000-4626b2e1e77be4bf6a3d
Source of Spectrum G4-66-1005-7
Wiley ID 1883960