| 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 |
![(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](/api/spectrum/DNXvPssAqCn/structure.png?h=300&w=458 "(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")
