Spektraris NMR
159623-48-0
Common Name: 159623-48-0
Synonyms: 159623-48-0
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-19(2)22-11-12-25-24(28(22,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,12,20,22-24H,1,8-9,11,13-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-/t20-,22-,23-,24-,28-,29-,30+/m0/s1
InChIKey: InChIKey=VGVAABHRCNAZRM-UKFNWJJFSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Benosman, A., Richomme, P., Sevenet, T., Hadi, A.H.A., Bruneton, J. Phytochemistry (1994) 37, 1143-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 26.8 |
| 2 (CH2) | 31.5 |
| 3 (C) | 180.4 |
| 4 (C) | 147.4 |
| 5 (CH) | 40.7 |
| 6 (CH2) | 28.2 |
| 7 (CH) | 117.8 |
| 8 (C) | 146.3 |
| 9 (CH) | 49.4 |
| 10 (C) | 36.7 |
| 11 (CH2) | 18.1 |
| 12 (CH2) | 33.6 |
| 13 (C) | 43.3 |
| 14 (C) | 51.4 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52.7 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 22 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.1 |
| 22 (CH2) | 35.5 |
| 23 (CH2) | 30.1 |
| 24 (CH) | 146.8 |
| 25 (C) | 125.9 |
| 26 (CH3) | 20.5 |
| 27 (C) | 173.4 |
| 28 (CH2) | 113.8 |
| 29 (CH3) | 22.3 |
| 30 (CH3) | 27.4 |
