(1S,3R,4S,8S,9S)-9-Phenylsulfanylcinchonan [9-Phenylsulfanyl-epi-cinchonidine]

SpectraBase Compound ID	CRW645XhcJE
InChI	InChI=1S/C25H26N2S/c1-2-18-17-27-15-13-19(18)16-24(27)25(28-20-8-4-3-5-9-20)22-12-14-26-23-11-7-6-10-21(22)23/h2-12,14,18-19,24-25H,1,13,15-17H2/t18-,19-,24+,25-/m0/s1
InChIKey	FPKDRCKRPVAWLK-XDESJKQVSA-N Google Search
Mol Weight	386.56 g/mol
Molecular Formula	C25H26N2S
Exact Mass	386.18167 g/mol

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SpectraBase Spectrum ID	IS2Dz29Ubgp
Name	(1S,3R,4S,8S,9S)-9-Phenylsulfanylcinchonan [9-Phenylsulfanyl-epi-cinchonidine]
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H26N2S
InChI	InChI=1S/C25H26N2S/c1-2-18-17-27-15-13-19(18)16-24(27)25(28-20-8-4-3-5-9-20)22-12-14-26-23-11-7-6-10-21(22)23/h2-12,14,18-19,24-25H,1,13,15-17H2/t18-,19-,24+,25-/m0/s1
InChIKey	FPKDRCKRPVAWLK-XDESJKQVSA-N
Molecular Weight	386.557 g/mol
SMILES	[C@@]1(N2CC[C@@](C1)([C@](C2)(C=C)[H])[H])([C@](c1c2c(cccc2)ncc1)(Sc1ccccc1)[H])[H]
SPLASH	splash10-000i-0910000000-069331038b4f778de7d6
Source of Spectrum	F4-0-1179-2
Wiley ID	1619488