Spektraris NMR
ent-3b,6a-diacetoxy-13-epi-manoyl oxide
Common Name: ent-3b,6a-diacetoxy-13-epi-manoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O5/c1-9-22(6)12-10-18-23(7)13-11-19(28-16(3)26)21(4,5)20(23)17(27-15(2)25)14-24(18,8)29-22/h9,17-20H,1,10-14H2,2-8H3/t17-,18+,19-,20-,22+,23+,24+/m1/s1
InChIKey: InChIKey=PSMOBLNJUFCHDB-MLJWWEEBSA-N
Formula: C24H38O5
Molecular Weight: 406.556435
Exact Mass: 406.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Martinez, A., Onorato, M.E., Parra, A., Recondo, M.B., Rivas, F., Arrebola, M.L., Socorro, O. Phytochemistry (1994) 35, 645-50
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 |
| 2 (CH2) | 23.2 |
| 3 (CH) | 80.2 |
| 4 (C) | 37.6 |
| 5 (CH) | 58.3 |
| 6 (CH) | 69.9 |
| 7 (CH2) | 49.9 |
| 8 (C) | 74.8 |
| 9 (CH) | 51.7 |
| 10 (C) | 37.8 |
| 11 (CH2) | 16.1 |
| 12 (CH2) | 34.6 |
| 13 (C) | 73.1 |
| 14 (CH) | 147.2 |
| 15 (CH2) | 109.9 |
| 16 (CH3) | 32.5 |
| 17 (CH3) | 25.2 |
| 18 (CH3) | 30.1 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 11 |
| 3a (C) | 171 |
| 3b (CH3) | 21.9 |
| 6a (C) | 170 |
| 6b (CH3) | 21.3 |
