| SpectraBase Spectrum ID |
Jeet6VML8hu |
| Name |
Brassicastetol |
| CAS Registry Number |
474-67-9 |
| 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 |
398.354866100 u |
| Formula |
C28H46O |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C28H46O/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/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19?,20?,22-,23-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey |
OILXMJHPFNGGTO-QFYUZSBDSA-N |
| Molecular Weight |
398.675 g/mol |
| Nominal Mass |
398 u |
| Number of Peaks |
403 |
| SMILES |
O[C@@]1(CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)(C(C)\C=C\C(C(C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H] |
| SPLASH |
splash10-0aor-7942000000-5e0f2f4b084a75f17de8 |
| Source |
authentic preparation, Cayman |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
Ergosta-5,22-dien-3.beta.-ol |
| Wiley ID |
VI001790 |
