| SpectraBase Spectrum ID |
IC2Ep06ZuA4 |
| Name |
(3.beta.,5.alpha.,20R,24R)-ergostan-3-ol |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H50O |
| GC Column |
Rtx??-5MS (30 mm x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey |
ARYTXMNEANMLMU-ATEDBJNTSA-N |
| Instrument Name |
Shimadzu GC/MS QP-2010 SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.202300536 |
| Molecular Weight |
402.707 g/mol |
| Optical Rotation |
[a]D21 = +10.46 (c = 0.1, CHCl3) |
| Quality |
977 |
| SMILES |
O[C@@]1(C[C@]2([C@](CC1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)([C@](C)(CC[C@](C(C)C)(C)[H])[H])[H])C)[H])[H])[H])C)[H])[H] |
| SPLASH |
splash10-053r-7951000000-a5f63535d52d00e955ae |
| Source of Spectrum |
CBD-20-SM32-13 (DOI: 10.1002/cbdv.202300536) |
| Thin-Layer Chromatography |
0.34 (hexane/AcOEt, 85:15) |
| Wiley ID |
1909884 |
