| SpectraBase Spectrum ID |
JIllVq2EXcu |
| Name |
19-Norcholestan-3-ol, acetate, (3.beta.,5.alpha.,10.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.365430784 u |
| Formula |
C28H48O2 |
| InChI |
InChI=1S/C28H48O2/c1-18(2)7-6-8-19(3)26-13-14-27-25-11-9-21-17-22(30-20(4)29)10-12-23(21)24(25)15-16-28(26,27)5/h18-19,21-27H,6-17H2,1-5H3/t19-,21+,22+,23-,24-,25-,26-,27+,28-/m1/s1 |
| InChIKey |
JKUNNIJFMPNBLQ-WMSNMPISSA-N |
| Molecular Weight |
416.690 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])[H])[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
