| SpectraBase Spectrum ID |
769kHdf65BE |
| Name |
.beta.-Sitosterol |
| CAS Registry Number |
83-46-5 |
| 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 |
414.386166229 u |
| Formula |
C29H50O |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey |
KZJWDPNRJALLNS-VJSFXXLFSA-N |
| Molecular Weight |
414.718 g/mol |
| Nominal Mass |
414 u |
| Number of Peaks |
262 |
| SMILES |
O[C@@]1(CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H] |
| SPLASH |
splash10-06r2-4922000000-17bdfa70ceb882aec6cd |
| Source |
Forsythia flowers |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI000968 |
