| SpectraBase Spectrum ID |
1S5lrupmTWO |
| Name |
19,20,21,22,28,29,30-Heptanorlupan-3.beta.,18.alpha.-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.302830526 u |
| Formula |
C23H40O2 |
| InChI |
InChI=1S/C23H40O2/c1-20(2)17-10-14-23(5)18(21(17,3)13-11-19(20)25)9-8-15-16(24)7-6-12-22(15,23)4/h15-19,24-25H,6-14H2,1-5H3/t15?,16-,17?,18?,19-,21-,22-,23+/m0/s1 |
| InChIKey |
REAGGMQZKAQFOC-VOVUEXGMSA-N |
| Molecular Weight |
348.571 g/mol |
| SMILES |
[C@@]12([C@@]3(C([C@@](O)(CCC3)[H])CCC1[C@@]1(C(C([C@@](O)(CC1)[H])(C)C)CC2)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91481 |
