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6.beta.-Sarracinoyloxy-1.beta.,10.beta.-epoxyfuranoeremophilane
SpectraBase Compound ID Ko0eyxRtscn
InChI InChI=1S/C20H26O5/c1-5-13(9-21)18(22)24-17-16-11(2)10-23-14(16)8-20-15(25-20)7-6-12(3)19(17,20)4/h5,10,12,15,17,21H,6-9H2,1-4H3/b13-5-/t12-,15+,17+,19-,20+/m0/s1
InChIKey HIPQZGAHMOISRN-FOGDXZIMSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9136LzYZrBj
Name 6.beta.-Sarracinoyloxy-1.beta.,10.beta.-epoxyfuranoeremophilane
Appearance Coloress needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-5-13(9-21)18(22)24-17-16-11(2)10-23-14(16)8-20-15(25-20)7-6-12(3)19(17,20)4/h5,10,12,15,17,21H,6-9H2,1-4H3/b13-5-/t12-,15+,17+,19-,20+/m0/s1
InChIKey HIPQZGAHMOISRN-FOGDXZIMSA-N
Instrument Name HP5989A
Ionization Type EI
Literature Reference DOI 10.1021/np070113x
Molecular Weight 346.423 g/mol
Optical Rotation [a]D22 = -12 (c = 0.5, MeOH)
Reported Formula C20H26O5
SMILES OC\C(C(O[C@]1([C@]2([C@]3([C@@](CC[C@@]2(C)[H])(O3)[H])Cc2c1c(co2)C)C)[H])=O)=C\C
SPLASH splash10-01vk-0950000000-5abfd07dfbf4beac33be
Source of Spectrum G4-70-1262-1
Wiley ID 1874603