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

*Links on SpectraBase are not permalinks.
(8R,9S,13S,14S)-3-methoxy-13-methyl-16-(thiophen-2-ylmethyl)-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 5UjoqmUJ9K1
InChI InChI=1S/C24H28O2S/c1-24-10-9-20-19-8-6-17(26-2)12-15(19)5-7-21(20)22(24)14-16(23(24)25)13-18-4-3-11-27-18/h3-4,6,8,11-12,16,20-22H,5,7,9-10,13-14H2,1-2H3/t16?,20-,21-,22+,24+/m1/s1
InChIKey GSHDGVLLDXRNKQ-UZMHFMGASA-N
Mol Weight 380.55 g/mol
Molecular Formula C24H28O2S
Exact Mass 380.181001 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 DNXvPssAqCn
Name (8R,9S,13S,14S)-3-methoxy-13-methyl-16-(thiophen-2-ylmethyl)-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one
Appearance Slightly yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.181001314 u
Formula C24H28O2S
GC Column HP-5
InChI InChI=1S/C24H28O2S/c1-24-10-9-20-19-8-6-17(26-2)12-15(19)5-7-21(20)22(24)14-16(23(24)25)13-18-4-3-11-27-18/h3-4,6,8,11-12,16,20-22H,5,7,9-10,13-14H2,1-2H3/t16?,20-,21-,22+,24+/m1/s1
InChIKey GSHDGVLLDXRNKQ-UZMHFMGASA-N
Instrument Name HP 6890N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201607072
Molecular Weight 380.546 g/mol
Quality 83
Reported Formula C24H28O2S
SMILES C1=CC2=C(C=C1OC)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC(C2=O)CC1=CC=CS1)[H])C)[H])[H]
SPLASH splash10-001i-2129000000-e811c674b6b98269f3c0
Sample Comments Major diastereoisomer
Source of Spectrum ACI-55-SM11-9b (DOI: 10.1002/anie.201607072)
Wiley ID 1899311