Spektraris NMR
ent-18-Acetoxy-15b-(benzoyloxy)-14a-hydroxyatis-16-ene
Common Name: ent-18-Acetoxy-15b-(benzoyloxy)-14a-hydroxyatis-16-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O5/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/h5-7,9-10,21-25,31H,1,8,11-17H2,2-4H3/t21-,22-,23+,24-,25+,27-,28-,29+/m1/s1
InChIKey: InChIKey=YMONGVNLCAMVCP-NXZVXMKPSA-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 : 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) | 39 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 35.7 |
| 4 (C) | 36.4 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 17.4 |
| 7 (CH2) | 29.9 |
| 8 (C) | 41.8 |
| 9 (CH) | 50.6 |
| 10 (C) | 37.7 |
| 11 (CH2) | 27 |
| 12 (CH) | 35.6 |
| 13 (CH2) | 40.4 |
| 14 (CH) | 66.7 |
| 15 (CH) | 81.8 |
| 16 (C) | 149.9 |
| 17 (CH2) | 110.9 |
| 18 (CH2) | 72.6 |
| 19 (CH3) | 17.6 |
| 20 (CH3) | 15.1 |
| 15a (C) | 166.6 |
| 15b (C) | 133.4 |
| 15c (CH) | 130 |
| 15d (CH) | 129.6 |
| 15e (CH) | 128.8 |
| 15f (CH) | 129.6 |
| 15g (CH) | 130 |
| 18a (C) | 171.4 |
| 18b (CH3) | 21.2 |
