Spektraris NMR
14,15,16,19-tetrahydroxy-ent-manoy-loxide
Common Name: 14,15,16,19-tetrahydroxy-ent-manoy-loxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H54O6/c1-5-6-7-8-9-10-11-13-26(34)35-22-27(2)16-12-17-28(3)23(27)14-18-29(4)24(28)15-19-30(21-32,36-29)25(33)20-31/h23-25,31-33H,5-22H2,1-4H3/t23-,24+,25+,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=WQDZXYZLMVKNFX-HIHKIKDUSA-N
Formula: C30H54O6
Molecular Weight: 510.747307
Exact Mass: 510.392039
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 : 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) | 43.7 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 38.9 |
| 4 (C) | 37 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 36.5 |
| 8 (C) | 76.1 |
| 9 (CH) | 55.6 |
| 10 (C) | 37 |
| 11 (CH2) | 14.6 |
| 12 (CH2) | 26 |
| 13 (C) | 76.4 |
| 14 (CH) | 74.8 |
| 15 (CH2) | 66.8 |
| 16 (CH2) | 64.9 |
| 17 (CH3) | 24.3 |
| 18 (CH3) | 27.4 |
| 19 (CH2) | 62.2 |
| 20 (CH3) | 15.7 |
| 19a (C) | 174 |
| 19b (CH2) | 34.5 |
| 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 |
