| SpectraBase Spectrum ID |
HhICtKHssjQ |
| Name |
((3ar,7S,7ar)-4-Acetoxy-7-(tert-butoxycarbonylamino)-2,2-dimethyltetrahydro-3ah-[1,3]dioxolo- [4,5-C]pyran-3A-yl)methyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.184231509 u |
| Formula |
C18H29NO9 |
| InChI |
InChI=1S/C18H29NO9/c1-10(20)24-9-18-13(26-17(6,7)28-18)12(8-23-14(18)25-11(2)21)19-15(22)27-16(3,4)5/h12-14H,8-9H2,1-7H3,(H,19,22)/t12-,13-,14?,18-/m1/s1 |
| InChIKey |
XWRVWXFCPUWOAI-OOUCGFGSSA-N |
| Molecular Weight |
403.428 g/mol |
| SMILES |
C(C)(C)(OC(N[C@@]1(COC(OC(C)=O)[C@@]2(OC(C)(C)O[C@]12[H])COC(C)=O)[H])=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917285 |
![((3ar,7S,7ar)-4-Acetoxy-7-(tert-butoxycarbonylamino)-2,2-dimethyltetrahydro-3ah-[1,3]dioxolo- [4,5-C]pyran-3A-yl)methyl acetate](/api/spectrum/HhICtKHssjQ/structure.png?h=300&w=458 "((3ar,7S,7ar)-4-Acetoxy-7-(tert-butoxycarbonylamino)-2,2-dimethyltetrahydro-3ah-[1,3]dioxolo- [4,5-C]pyran-3A-yl)methyl acetate")
