For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3.alpha.-(E)-4-Hydroxysenecioyloxy-6.beta.-senecioyloxytropane
SpectraBase Compound ID 3KtrJXh1rJX
InChI InChI=1S/C18H27NO5/c1-11(2)5-17(21)24-16-8-13-7-14(9-15(16)19(13)4)23-18(22)6-12(3)10-20/h5-6,13-16,20H,7-10H2,1-4H3/b12-6+/t13-,14-,15+,16-/m1/s1
InChIKey IIIIUNUEKKQHPF-UMDHEIRRSA-N
Mol Weight 337.42 g/mol
Molecular Formula C18H27NO5
Exact Mass 337.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9Z8TJiQ2lAc
Name 3.alpha.-(E)-4-Hydroxysenecioyloxy-6.beta.-senecioyloxytropane
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO5
InChI InChI=1S/C18H27NO5/c1-11(2)5-17(21)24-16-8-13-7-14(9-15(16)19(13)4)23-18(22)6-12(3)10-20/h5-6,13-16,20H,7-10H2,1-4H3/b12-6+/t13-,14-,15+,16-/m1/s1
InChIKey IIIIUNUEKKQHPF-UMDHEIRRSA-N
Instrument Name Hewlett-Packard 5890 series II-Agilent Technologies HP 5972
Ionization Type EI
Literature Reference DOI 10.1021/np1005423
Molecular Weight 337.416 g/mol
Optical Rotation [a]D25 = -8.0 (c = 0.05, MeOH)
Reported Formula C18H27NO5
SMILES OC\C(=C\C(O[C@@]1(C[C@@]2(C[C@@](OC(C=C(C)C)=O)([C@](C1)(N2C)[H])[H])[H])[H])=O)C
SPLASH splash10-0007-9100000000-7f72a9a44801187c8def
Source of Spectrum G4-74-52-2
Synonyms Schizanthine O
Wiley ID 1849015