Spektraris NMR
ent-18-Acetoxy-15b-(benzoyloxy)atis-16-en-14-one
Common Name: ent-18-Acetoxy-15b-(benzoyloxy)atis-16-en-14-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O5/c1-18-21-15-23-28(4)13-8-12-27(3,17-33-19(2)30)22(28)11-14-29(23,24(31)16-21)25(18)34-26(32)20-9-6-5-7-10-20/h5-7,9-10,21-23,25H,1,8,11-17H2,2-4H3/t21-,22-,23+,25+,27-,28-,29+/m1/s1
InChIKey: InChIKey=SIHPDTLAEOIEON-OOGYDPGGSA-N
Formula: C29H36O5
Molecular Weight: 464.594233
Exact Mass: 464.256274
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 : Atisanes; 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) | 38.4 |
| 2 (CH2) | 17.4 |
| 3 (CH2) | 35.7 |
| 4 (C) | 36.3 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 28 |
| 8 (C) | 51.8 |
| 9 (CH) | 48.9 |
| 10 (C) | 38 |
| 11 (CH2) | 28.6 |
| 12 (CH) | 37.2 |
| 13 (CH2) | 44.2 |
| 14 (C) | 213.2 |
| 15 (CH) | 79.1 |
| 16 (C) | 147.8 |
| 17 (CH2) | 114 |
| 18 (CH2) | 72.6 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 14.2 |
| 15a (C) | 166.3 |
| 15b (C) | 133.3 |
| 15c (CH) | 129.9 |
| 15d (CH) | 129.8 |
| 15e (CH) | 128.5 |
| 15f (CH) | 129.8 |
| 15g (CH) | 129.9 |
| 18a (C) | 171.3 |
| 18b (CH3) | 21.2 |
