| SpectraBase Spectrum ID |
G1ywmXuobY7 |
| Name |
Olean-12-ene-3,16,23,28-tetrol, tetraacetate, (3.beta.,4.alpha.,16.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
642.413168820 u |
| Formula |
C38H58O8 |
| InChI |
InChI=1S/C38H58O8/c1-23(39)43-21-35(8)29-13-16-36(9)30(34(29,7)15-14-31(35)45-25(3)41)12-11-27-28-19-33(5,6)17-18-38(28,22-44-24(2)40)32(46-26(4)42)20-37(27,36)10/h11,28-32H,12-22H2,1-10H3/t28-,29?,30+,31-,32-,34-,35-,36+,37+,38+/m0/s1 |
| InChIKey |
GWIHLYZDKKUJAQ-FNIDCQAYSA-N |
| Molecular Weight |
642.874 g/mol |
| SMILES |
[C@]12(C([C@@]3(CC(C)(C)CC[C@@]3([C@](C2)(OC(=O)C)[H])COC(=O)C)[H])=CC[C@@]2([C@]3(CC[C@@]([C@](C3CC[C@@]12C)(COC(=O)C)C)(OC(=O)C)[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951714 |
