| SpectraBase Spectrum ID |
BxmKaysGewW |
| Name |
9,10-Secocholesta-1(10),5,7-trien-3-ol, (3.beta.,5E,7E)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.339216036 u |
| Formula |
C27H44O |
| InChI |
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h11-13,19,21,24-26,28H,6-10,14-18H2,1-5H3/b22-12+,23-13-/t21-,24-,25-,26+,27-/m1/s1 |
| InChIKey |
LMBGVVOJTGHJNP-YHJXBONMSA-N |
| Molecular Weight |
384.648 g/mol |
| SMILES |
[C@]12([C@](\C(=C\C=C/3C(=CC[C@](C3)(O)[H])C)CCC1)(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C |
