Spektraris NMR
ent-18-Acetoxy-15a-(benzoyloxy)-14a-hydroxykaur-16-ene
Common Name: ent-18-Acetoxy-15a-(benzoyloxy)-14a-hydroxykaur-16-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O5/c1-18-21-11-12-23-28(4)15-8-14-27(3,17-33-19(2)30)22(28)13-16-29(23,24(21)31)25(18)34-26(32)20-9-6-5-7-10-20/h5-7,9-10,21-25,31H,1,8,11-17H2,2-4H3/t21-,22+,23-,24+,25+,27+,28+,29-/m0/s1
InChIKey: InChIKey=OLXBXCBSEXUYSR-OHHDJKFCSA-N
Formula: C29H38O5
Molecular Weight: 466.610114
Exact Mass: 466.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Duenas, J., Guerrero, A., Martinez, A., Parra, A. J Nat Prod (1996) 59, 124-30
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) | 18.1 |
| 3 (CH2) | 35.7 |
| 4 (C) | 36.6 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 29.9 |
| 8 (C) | 51.7 |
| 9 (CH) | 50.4 |
| 10 (C) | 39.2 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 33.7 |
| 13 (CH) | 49.6 |
| 14 (CH) | 75.2 |
| 15 (CH) | 79.9 |
| 16 (C) | 151.8 |
| 17 (CH2) | 110 |
| 18 (CH2) | 73.4 |
| 19 (CH3) | 18.5 |
| 20 (CH3) | 17.5 |
| 15a (C) | 166.8 |
| 15b (C) | 133.2 |
| 15c (CH) | 130.7 |
| 15d (CH) | 129.9 |
| 15e (CH) | 128.7 |
| 15f (CH) | 129.9 |
| 15g (CH) | 130.7 |
| 18a (C) | 171.4 |
| 18b (CH3) | 19.3 |
