| SpectraBase Spectrum ID |
4j2Fda0gYQA |
| Name |
(3.beta.,20R,24R)-3-formyloxyergost-5-ene |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.365430784 u |
| Formula |
C29H48O2 |
| GC Column |
Rtx??-5MS (30 mm x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C29H48O2/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(31-18-30)13-15-28(22,5)27(24)14-16-29(25,26)6/h9,18-21,23-27H,7-8,10-17H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey |
LVAJBAVZRCGEBJ-VJSFXXLFSA-N |
| Instrument Name |
Shimadzu GC/MS QP-2010 SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.202300536 |
| Molecular Weight |
428.701 g/mol |
| Optical Rotation |
[a]D21 = -59.70 (c = 0.1, CHCl3) |
| Quality |
986 |
| SMILES |
C1C[C@]2(C(C[C@]1(OC=O)[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 |
splash10-0532-5921000000-32254b05425da261aec1 |
| Source of Spectrum |
CBD-20-SM17-7 (DOI: 10.1002/cbdv.202300536) |
| Thin-Layer Chromatography |
0,39 (hexane/AcOEt, 99:01) |
| Wiley ID |
1909891 |
