| SpectraBase Spectrum ID |
Dsex22IuMKE |
| Name |
3.beta.,12.beta.-Diacetoxy-14S,15-epoxy-ent-13-epi-monoyl-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.266838938 u |
| Formula |
C24H38O6 |
| InChI |
InChI=1S/C24H38O6/c1-14(25)28-18-9-10-22(5)16(21(18,3)4)8-11-23(6)17(22)12-19(29-15(2)26)24(7,30-23)20-13-27-20/h16-20H,8-13H2,1-7H3/t16?,17?,18-,19+,20-,22+,23-,24+/m0/s1 |
| InChIKey |
HWFNYVFRBKNLRI-KJQIHEGRSA-N |
| Molecular Weight |
422.562 g/mol |
| SMILES |
[C@@]1(O[C@]2(CCC3[C@](C2C[C@]1(OC(=O)C)[H])(CC[C@](OC(=O)C)(C3(C)C)[H])C)C)([C@]1(OC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966817 |
