Spektraris NMR
Ent-15b-hydroxy-7a-(E)-lachnophylloyloxy-kaur-16-en-19-oic acid
Common Name: Ent-15b-hydroxy-7a-(E)-lachnophylloyloxy-kaur-16-en-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O5/c1-5-6-7-8-9-10-11-13-25(31)35-24-18-23-28(3,16-12-17-29(23,4)27(33)34)22-15-14-21-19-30(22,24)26(32)20(21)2/h11,13,21-24,26,32H,2,5-6,12,14-19H2,1,3-4H3,(H,33,34)/b13-11+/t21-,22+,23+,24+,26+,28+,29-,30-/m1/s1
InChIKey: InChIKey=FMWPHPUEYDFGOG-AALGXRRJSA-N
Formula: C30H38O5
Molecular Weight: 478.62085
Exact Mass: 478.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lobitz, G.O., Tamayo-Castillo, G., Poveda, L., Merfort, I. Phytochemistry (1998) 49, 805-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 40.5 |
| 2 (CH2) | 19 |
| 3 (CH2) | 37.7 |
| 4 (C) | 43.1 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 25.7 |
| 7 (CH) | 75.9 |
| 8 (C) | 50.6 |
| 9 (CH) | 48.2 |
| 10 (C) | 39.5 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 32.8 |
| 13 (CH) | 42.1 |
| 14 (CH2) | 34.7 |
| 15 (CH) | 80 |
| 16 (C) | 159.5 |
| 17 (CH2) | 108.7 |
| 18 (CH3) | 28.7 |
| 19 (C) | 182.6 |
| 20 (CH3) | 15.7 |
| 7a (C) | 164.7 |
| 7b (CH) | 124 |
| 7c (CH) | 133.2 |
| 7d (C) | 71.5 |
| 7e (C) | 83.2 |
| 7f (C) | 65 |
| 7g (C) | 88.8 |
| 7h (CH2) | 21.7 |
| 7i (CH2) | 21.6 |
| 7j (CH3) | 13.5 |
