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14-Hydroxypaspalinine
SpectraBase Compound ID E6Y8HPmFIgy
InChI InChI=1S/C27H31NO5/c1-23(2)22-18(29)13-19-26(32-22,33-23)10-9-24(3)25(4)14(12-20(30)27(19,24)31)11-16-15-7-5-6-8-17(15)28-21(16)25/h5-8,13-14,20,22,28,30-31H,9-12H2,1-4H3/t14-,20+,22+,24-,25-,26+,27+/m1/s1
InChIKey JNHPMJVSUJKCKH-KCCNSQSLSA-N
Mol Weight 449.55 g/mol
Molecular Formula C27H31NO5
Exact Mass 449.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjApQ7pRMFL
Name 14-Hydroxypaspalinine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31NO5
InChI InChI=1S/C27H31NO5/c1-23(2)22-18(29)13-19-26(32-22,33-23)10-9-24(3)25(4)14(12-20(30)27(19,24)31)11-16-15-7-5-6-8-17(15)28-21(16)25/h5-8,13-14,20,22,28,30-31H,9-12H2,1-4H3/t14-,20+,22+,24-,25-,26+,27+/m1/s1
InChIKey JNHPMJVSUJKCKH-KCCNSQSLSA-N
Molecular Weight 449.547 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1([C@]3(CC[C@@]45C([C@@]3([C@](C[C@]1(C2)[H])(O)[H])O)=CC([C@](O5)(C(O4)(C)C)[H])=O)C)C
SPLASH splash10-0006-9400000000-ddeebf85616b041e0b46
Source of Spectrum AT-34-2572-3
Wiley ID 852454