Spektraris NMR
Seco-coccinic acid F
Common Name: Seco-coccinic acid F
Synonyms:
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/h10,14,20,22-23,25H,1,8-9,11-13,15-18H2,2-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,22+,23-,25-,28+,29-,30+/m1/s1
InChIKey: InChIKey=JGNPDWQZTUZFHK-FLBFYCMKSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, N., Li, Z., Song, D., Li, W., Fu, H., Koike, K., Pei, Y., Jing, Y., Hua, H. J Nat Prod (2008) 71, 990-4
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) | 29.9 |
| 2 (CH2) | 33.4 |
| 3 (C) | 176.8 |
| 4 (C) | 148.2 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 28.2 |
| 7 (CH2) | 27 |
| 8 (CH) | 42.7 |
| 9 (C) | 143 |
| 10 (C) | 42.9 |
| 11 (CH) | 118.8 |
| 12 (CH2) | 37.9 |
| 13 (C) | 44.2 |
| 14 (C) | 47.5 |
| 15 (CH2) | 33.9 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 51.2 |
| 18 (CH3) | 14.9 |
| 19 (CH3) | 27.2 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 35.5 |
| 23 (CH2) | 26 |
| 24 (CH) | 142.5 |
| 25 (C) | 129 |
| 26 (C) | 170.7 |
| 27 (CH3) | 12.9 |
| 28 (CH2) | 114.1 |
| 29 (CH3) | 23.6 |
| 30 (CH3) | 18.5 |
