| SpectraBase Spectrum ID |
LMMi1YwQa5R |
| Name |
Dehydroergosterol |
| CAS Registry Number |
516-85-8 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
394.323565971 u |
| Formula |
C28H42O |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C28H42O/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/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19?,20?,22-,24+,25-,27-,28+/m0/s1 |
| InChIKey |
QSVJYFLQYMVBDR-ZUPUWOBVSA-N |
| Molecular Weight |
394.643 g/mol |
| Nominal Mass |
394 u |
| Number of Peaks |
358 |
| SMILES |
O[C@@]1(CC=2[C@@](C=3C([C@]4([C@@]([C@](CC4)(C(C)\C=C\C(C(C)C)C)[H])(CC3)C)[H])=CC2)(CC1)C)[H] |
| SPLASH |
splash10-0udi-5981000000-fc25202110db69af1f9f |
| Source |
Cayman Chemicals |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
9,11-Dehydroergosterol; DHE |
| Wiley ID |
VI001794 |
