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 |