Spektraris NMR
Skimmial
Common Name: Skimmial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O5/c1-21(19-35)24-11-14-30(4)17-18-33(7)25(29(24)30)9-10-27-31(5)15-13-28(39-23(3)37)32(6,20-38-22(2)36)26(31)12-16-34(27,33)8/h19,24-29H,1,9-18,20H2,2-8H3/t24-,25+,26+,27+,28-,29+,30+,31-,32-,33+,34+/m0/s1
InChIKey: InChIKey=YRXMJZHBWIPRHC-UQLPHTRSSA-N
Formula: C34H52O5
Molecular Weight: 540.774964
Exact Mass: 540.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Razdan T.K., Harkar S., Qadri B., Qurishi M.A., Khuroo M.A. Phytochemistry (1988) 27, 1890
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) | 37.8 |
| 2 (CH2) | 23.1 |
| 3 (CH) | 74.7 |
| 4 (C) | 40.7 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 18 |
| 7 (CH2) | 32 |
| 8 (C) | 39.7 |
| 9 (CH) | 47.5 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23 |
| 12 (CH2) | 26.4 |
| 13 (CH) | 37.5 |
| 14 (C) | 43.4 |
| 15 (CH2) | 27.7 |
| 16 (CH2) | 35.9 |
| 17 (C) | 46 |
| 18 (CH) | 47.1 |
| 19 (CH) | 50.5 |
| 20 (C) | 168.4 |
| 21 (CH2) | 28.5 |
| 22 (CH2) | 40.6 |
| 23 (CH2) | 65.6 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 16 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 15.7 |
| 28 (CH3) | 20.2 |
| 29 (CH2) | 119.3 |
| 30 (CH) | 180.5 |
| 3a (C) | 171.2 |
| 3b (CH3) | 21.5 |
| 23a (C) | 170.5 |
| 23b (CH3) | 21.1 |
