| SpectraBase Spectrum ID |
5DvIGFNh66w |
| Name |
(8R,9S,13S,14S)-16-benzyl-3-methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30O2 |
| GC Column |
HP-5 |
| InChI |
InChI=1S/C26H30O2/c1-26-13-12-22-21-11-9-20(28-2)15-18(21)8-10-23(22)24(26)16-19(25(26)27)14-17-6-4-3-5-7-17/h3-7,9,11,15,19,22-24H,8,10,12-14,16H2,1-2H3/t19?,22-,23-,24+,26+/m1/s1 |
| InChIKey |
WDOJNNASKYIPGU-PTHJZJBJSA-N |
| Instrument Name |
HP 6890N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201607072 |
| Molecular Weight |
374.524 g/mol |
| Quality |
77 |
| Reported Formula |
C26H30O2 |
| SMILES |
C1=CC2=C(C=C1OC)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC(C2=O)CC1=CC=CC=C1)[H])C)[H])[H] |
| SPLASH |
splash10-00di-1119000000-77196e6e7265c3aef436 |
| Sample Comments |
Major diastereoisomer |
| Source of Spectrum |
ACI-55-SM10-9a (DOI: 10.1002/anie.201607072) |
| Wiley ID |
1899310 |
![(8R,9S,13S,14S)-16-benzyl-3-methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one](/api/spectrum/5DvIGFNh66w/structure.png?h=300&w=458 "(8R,9S,13S,14S)-16-benzyl-3-methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopenta[a]phenanthren-17-one")
