Spektraris NMR
Ent-15b-cinnamoyloxy-7a-hydroxy-kaur- 16-en- 19-oic acid
Common Name: Ent-15b-cinnamoyloxy-7a-hydroxy-kaur- 16-en- 19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O5/c1-18-20-11-12-21-27(2)14-7-15-28(3,26(32)33)22(27)16-23(30)29(21,17-20)25(18)34-24(31)13-10-19-8-5-4-6-9-19/h4-6,8-10,13,20-23,25,30H,1,7,11-12,14-17H2,2-3H3,(H,32,33)/b13-10+/t20-,21+,22+,23+,25+,27+,28-,29-/m1/s1
InChIKey: InChIKey=JJIZLCQMLRAKMR-DQCVOJHCSA-N
Formula: C29H36O5
Molecular Weight: 464.594233
Exact Mass: 464.256274
NMR Solvent: CD3OD
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) | 41.8 |
| 2 (CH2) | 20.5 |
| 3 (CH2) | 40.8 |
| 4 (C) | 44.4 |
| 5 (CH) | 48 |
| 6 (CH2) | 30.3 |
| 7 (CH) | 72.2 |
| 8 (C) | 52.4 |
| 9 (CH) | 48.4 |
| 10 (C) | 39.3 |
| 11 (CH2) | 19.1 |
| 12 (CH2) | 34.5 |
| 13 (CH) | 44 |
| 14 (CH2) | 37.1 |
| 15 (CH) | 82.3 |
| 16 (C) | 157.5 |
| 17 (CH2) | 110.6 |
| 18 (CH3) | 29.5 |
| 19 (C) | 182.6 |
| 20 (CH3) | 16.5 |
| 15a (C) | 168.4 |
| 15b (CH) | 120.1 |
| 15c (CH) | 145.6 |
| 15d (C) | 136 |
| 15e (CH) | 130 |
| 15f (CH) | 129.2 |
| 15g (CH) | 131.4 |
| 15h (CH) | 129.2 |
| 15i (CH) | 130 |
