Spektraris NMR
17-Hydroxy-15a,16a-epoxy-ent-kauran-19-oic acid
Common Name: 17-Hydroxy-15a,16a-epoxy-ent-kauran-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H66O6/c1-34(2)15-8-16-35(3)27(34)12-19-38(6)29(35)13-20-39(7,46-38)31(24-41)45-32(42)26-23-40-21-14-28-36(4,30(40)11-10-25(26)22-40)17-9-18-37(28,5)33(43)44/h25-32,41-42H,8-24H2,1-7H3,(H,43,44)/t25-,26?,27+,28+,29-,30+,31?,32?,35+,36-,37-,38-,39+,40+/m0/s1
InChIKey: InChIKey=PVLOUGYIKGYSGF-VNEJWLSGSA-N
Formula: C40H66O6
Molecular Weight: 642.949955
Exact Mass: 642.48594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Piacente, S., Aquino, R., Detommasi, N., Pizza, C., Deugaz, O.L., Orellana, H.C., Mahmood, N. Phytochemistry (1994) 36, 991-6
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) | 40.1 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 44.7 |
| 4 (C) | 34 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 43.1 |
| 8 (C) | 77.1 |
| 9 (CH) | 58.6 |
| 10 (C) | 38 |
| 11 (CH2) | 15.6 |
| 12 (CH2) | 31.4 |
| 13 (C) | 77.1 |
| 14 (CH) | 79.6 |
| 15 (CH2) | 64.2 |
| 16 (CH3) | 25.5 |
| 17 (CH3) | 25.1 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 16 |
| 1' (CH2) | 42.5 |
| 2' (CH2) | 19.3 |
| 3' (CH2) | 38.6 |
| 4' (C) | 44.7 |
| 5' (CH) | 56.7 |
| 6' (CH2) | 23.8 |
| 7' (CH2) | 43.1 |
| 8' (C) | 46.1 |
| 9' (CH) | 57.8 |
| 10' (C) | 39.9 |
| 11' (CH2) | 20.8 |
| 12' (CH2) | 32.2 |
| 13' (CH) | 39.1 |
| 14' (CH2) | 38.5 |
| 15' (CH2) | 45 |
| 16' (CH) | 44.2 |
| 17' (CH) | 109 |
| 18' (CH3) | 29.9 |
| 19' (C) | 178 |
| 20' (CH3) | 16.4 |
