| SpectraBase Spectrum ID |
E4erQ4OnkkP |
| Name |
(3.beta.,20R,24R)-3-(4-bromobenzoxy)ergost-5-ene |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
582.307243880 u |
| Formula |
C35H51BrO2 |
| GC Column |
Rtx??-5MS (30 mm x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C35H51BrO2/c1-22(2)23(3)7-8-24(4)30-15-16-31-29-14-11-26-21-28(38-33(37)25-9-12-27(36)13-10-25)17-19-34(26,5)32(29)18-20-35(30,31)6/h9-13,22-24,28-32H,7-8,14-21H2,1-6H3/t23-,24-,28+,29+,30-,31+,32+,34+,35-/m1/s1 |
| InChIKey |
QBJIFORLMSXQEK-PYLUXVCXSA-N |
| Instrument Name |
Shimadzu GC/MS QP-2010 SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.202300536 |
| Molecular Weight |
583.695 g/mol |
| Optical Rotation |
[a]D21 = -15.96 (c = 0.1, CHCl3) |
| Quality |
673 |
| SMILES |
C1C[C@]2(C(C[C@]1(OC(=O)C1=CC=C(C=C1)Br)[H])=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CC[C@](C(C)C)(C)[H])[H])[H])[H])C)[H])[H])C |
| SPLASH |
splash10-001j-5912000000-d30df2970e3536614911 |
| Source of Spectrum |
CBD-20-SM27-11 (DOI: 10.1002/cbdv.202300536) |
| Thin-Layer Chromatography |
0.43 (hexane/AcOEt, 99:01) |
| Wiley ID |
1909882 |
