| SpectraBase Spectrum ID |
LFsVSvQG9nx |
| Name |
26,27-Dinorcholestan-24-one, 23-(acetyloxy)-3-methoxy-, (3.beta.,5.alpha.,23S)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.339609957 u |
| Formula |
C28H46O4 |
| InChI |
InChI=1S/C28H46O4/c1-17(15-26(18(2)29)32-19(3)30)23-9-10-24-22-8-7-20-16-21(31-6)11-13-27(20,4)25(22)12-14-28(23,24)5/h17,20-26H,7-16H2,1-6H3/t17-,20+,21+,22+,23-,24+,25+,26+,27+,28-/m1/s1 |
| InChIKey |
LSFWDNAQRFCOGD-IXNSGVTISA-N |
| Molecular Weight |
446.672 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](C[C@](OC(=O)C)(C(=O)C)[H])(C)[H])[H])[H])C |
