Spektraris NMR
Ent-13'-nor-13'-oxomethylisoozate dimer
Common Name: Ent-13'-nor-13'-oxomethylisoozate dimer
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H62O5/c1-27-11-21-34-38(3,23-9-25-40(34,5)36(43)45-7)31(27)18-15-29-13-16-30(17-14-29)33(42)20-19-32-28(2)12-22-35-39(32,4)24-10-26-41(35,6)37(44)46-8/h13,30-32,34-35H,1-2,9-12,14-26H2,3-8H3/t30?,31-,32+,34+,35-,38+,39-,40+,41-/m1/s1
InChIKey: InChIKey=WQLFXXMSVDKBCS-UGUVWCGDSA-N
Formula: C41H62O5
Molecular Weight: 634.929523
Exact Mass: 634.459725
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Martins, D., Hamerski, L., Alvarenga, S.A.V., Roque, N.F. Phytochemistry (1999) 51, 813-7
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) | 37.7 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 36.9 |
| 4 (C) | 47.6 |
| 5 (CH) | 49.7 |
| 6 (CH2) | 26.7 |
| 7 (CH2) | 37.7 |
| 8 (C) | 147.6 |
| 9 (CH) | 56 |
| 10 (C) | 38.8 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 37.9 |
| 13 (C) | 137.8 |
| 14 (CH) | 118.8 |
| 15 (CH2) | 27.9 |
| 16 (CH2) | 24.9 |
| 17 (CH2) | 106.8 |
| 18 (C) | 179.1 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 14.4 |
| 1' (CH2) | 37.7 |
| 2' (CH2) | 18.3 |
| 3' (CH2) | 36.9 |
| 4' (C) | 47.6 |
| 5' (CH) | 49.7 |
| 6' (CH2) | 26.7 |
| 7' (CH2) | 37.7 |
| 8' (C) | 147.7 |
| 9' (CH) | 56.1 |
| 10' (C) | 38.9 |
| 11' (CH2) | 17 |
| 12' (CH2) | 39.4 |
| 13' (C) | 214.1 |
| 14' (CH) | 46.8 |
| 15' (CH2) | 27 |
| 17' (CH2) | 106.8 |
| 18' (C) | 179.1 |
| 19' (CH3) | 16.4 |
| 20' (CH3) | 14.6 |
| 18a (CH3) | 51.7 |
| 19'a (CH3) | 51.7 |
