Spektraris NMR
Lanceolatic Acid
Common Name: Lanceolatic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H60O4/c1-25-12-9-13-29(30(25)24-32-28(4)16-19-34-38(32,6)21-11-23-40(34,8)36(43)44)26(2)14-17-31-27(3)15-18-33-37(31,5)20-10-22-39(33,7)35(41)42/h12,14,29-34H,3-4,9-11,13,15-24H2,1-2,5-8H3,(H,41,42)(H,43,44)/b26-14+/t29-,30-,31+,32+,33-,34-,37-,38-,39-,40-/m1/s1
InChIKey: InChIKey=SJNLMGBWWYAZAY-HQYWESMLSA-N
Formula: C40H60O4
Molecular Weight: 604.903501
Exact Mass: 604.44916
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Du, J., Chen, R.Y., Yu, D.Q. J Nat Prod (1999) 62, 1200-1
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 37.7 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 38.4 |
| 4 (C) | 47.7 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 27.1 |
| 7 (CH2) | 38.8 |
| 8 (C) | 148.7 |
| 9 (CH) | 58.1 |
| 10 (C) | 39 |
| 11 (CH2) | 23.3 |
| 12 (CH) | 38.8 |
| 13 (C) | 137.3 |
| 14 (CH) | 125.3 |
| 15 (CH2) | 26.3 |
| 16 (CH3) | 17.6 |
| 17 (CH2) | 108.4 |
| 18 (C) | 181.2 |
| 19 (CH3) | 17.4 |
| 20 (CH3) | 15.1 |
| 1' (CH2) | 37.8 |
| 2' (CH2) | 19.1 |
| 3' (CH2) | 39.2 |
| 4' (C) | 47.7 |
| 5' (CH) | 50.9 |
| 6' (CH2) | 27.2 |
| 7' (CH2) | 38.1 |
| 8' (C) | 148.7 |
| 9' (CH) | 54.1 |
| 10' (C) | 40.2 |
| 11' (CH2) | 24 |
| 12' (CH) | 121.9 |
| 13' (C) | 139.3 |
| 14' (CH) | 46.2 |
| 15' (CH2) | 21.7 |
| 16' (CH3) | 23.8 |
| 17' (CH2) | 107.6 |
| 18' (C) | 180 |
| 19' (CH3) | 17.5 |
| 20' (CH3) | 14.6 |
