Spektraris NMR
3-epi-Thurberogenin
Common Name: 3-epi-Thurberogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18(2)30-17-16-29(24(32)33-30)15-14-27(6)19(23(29)30)8-9-21-26(5)12-11-22(31)25(3,4)20(26)10-13-28(21,27)7/h19-23,31H,1,8-17H2,2-7H3/t19-,20+,21-,22-,23-,26+,27-,28-,29-,30-/m1/s1
InChIKey: InChIKey=IBPHOZYTFQMNIJ-RJTIZZONSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Di, Y.T., He, H.P., Liu, H.Y., Yi, P., Zhang, Z., Ren, Y.L., Wang, J.S., Sun, Q.Y., Yang, F.M., Fang, X., Li, S.L., Zhu, H.J., Hao, X.J. J Nat Prod (2005) 68, 1352-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 34.1 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 75.1 |
| 4 (C) | 38.1 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 34.5 |
| 8 (C) | 41.1 |
| 9 (CH) | 50.8 |
| 10 (C) | 37.7 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 35.2 |
| 14 (C) | 41.4 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 22.9 |
| 17 (C) | 54 |
| 18 (CH) | 55.5 |
| 19 (C) | 92.2 |
| 20 (C) | 141.4 |
| 21 (CH2) | 34.4 |
| 22 (CH2) | 29.3 |
| 23 (CH3) | 29.2 |
| 24 (CH3) | 22.8 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 15.7 |
| 27 (CH3) | 13.6 |
| 28 (C) | 178.6 |
| 29 (CH2) | 112.2 |
| 30 (CH3) | 19.3 |
