Spektraris NMR
Kadsuracoccinic Acid
Common Name: Kadsuracoccinic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/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/h10,14,22,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10-,23-20-/t22-,25+,28-,29+,30-/m0/s1
InChIKey: InChIKey=QOIBKZDJHBYYMX-AVNVPESYSA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, H., Wang, L., Miyata, S., Kitanaka, S. J Nat Prod (2008) 71, 739-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 29.1 |
| 2 (CH2) | 31.8 |
| 3 (C) | 181.7 |
| 4 (C) | 147.6 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 27.7 |
| 7 (CH2) | 26.6 |
| 8 (CH) | 41.5 |
| 9 (C) | 142 |
| 10 (C) | 42.6 |
| 11 (CH) | 118.9 |
| 12 (CH2) | 36 |
| 13 (C) | 47.2 |
| 14 (C) | 46.2 |
| 15 (CH2) | 33 |
| 16 (CH2) | 28.8 |
| 17 (C) | 143.1 |
| 18 (CH3) | 21.1 |
| 19 (CH3) | 26.8 |
| 20 (C) | 124.6 |
| 21 (CH3) | 19.8 |
| 22 (CH2) | 33.7 |
| 23 (CH2) | 29.7 |
| 24 (CH) | 146.4 |
| 25 (C) | 126.3 |
| 26 (C) | 174.1 |
| 27 (CH3) | 20.4 |
| 28 (CH2) | 113.8 |
| 29 (CH3) | 23.1 |
| 30 (CH3) | 19.1 |
