Spektraris NMR
19-0-Acyl-ent-16,17,19-kauranetriol
Common Name: 19-0-Acyl-ent-16,17,19-kauranetriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O4/c1-4-5-6-7-8-9-10-12-26(32)34-22-27(2)16-11-17-28(3)24(27)15-18-29-19-23(13-14-25(28)29)30(33,20-29)21-31/h23-25,31,33H,4-22H2,1-3H3/t23-,24-,25+,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=DJUYEOHIOGOUMY-YXSLPZITSA-N
Formula: C30H52O4
Molecular Weight: 476.732616
Exact Mass: 476.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pérez-Castorena, A.L., Martinez-Vázquez, M., de Vivar, A.R. Phytochemistry (1997) 46, 729-34
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) | 40.3 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 36.4 |
| 4 (C) | 39.2 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 42.3 |
| 8 (C) | 44.6 |
| 9 (CH) | 56.8 |
| 10 (C) | 39.2 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 45.4 |
| 14 (CH2) | 37.1 |
| 15 (CH2) | 53.1 |
| 16 (C) | 81.8 |
| 17 (CH2) | 66.3 |
| 18 (CH3) | 27.2 |
| 19 (CH2) | 66.9 |
| 20 (CH3) | 18.2 |
| 19a (C) | 174.2 |
| 19b (CH2) | 34.2 |
| 19c (CH2) | 31.9 |
| 19d (CH2) | 29.6 |
| 19e (CH2) | 29.5 |
| 19f (CH2) | 29.3 |
| 19g (CH2) | 29.2 |
| 19h (CH2) | 25.1 |
| 19i (CH2) | 22.7 |
| 19j (CH3) | 14.1 |
