| SpectraBase Spectrum ID |
B1Im6W6Pgsi |
| Name |
(3.beta.,20R,24R)-3-acetoxyergost-5-ene |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.381080848 u |
| Formula |
C30H50O2 |
| GC Column |
Rtx??-5MS (30 mm x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C30H50O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10,19-21,24-28H,8-9,11-18H2,1-7H3/t20-,21-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey |
JOBAYBRAHVTSSW-NTUCOQBPSA-N |
| Instrument Name |
Shimadzu GC/MS QP-2010 SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.202300536 |
| Molecular Weight |
442.728 g/mol |
| Optical Rotation |
[a]D21 = -62.33 (c = 0.1, CHCl3) |
| Quality |
986 |
| SMILES |
C1C[C@]2(C(C[C@]1(OC(=O)C)[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 |
splash10-0535-5921000000-f723f7d016e1fccb9d75 |
| Source of Spectrum |
CBD-20-SM5-2 (DOI: 10.1002/cbdv.202300536) |
| Thin-Layer Chromatography |
0.31 (hexane/AcOEt, 99:01) |
| Wiley ID |
1909886 |
