Spektraris NMR
ent-11b,16a,17-Triacetoxyatis-13-ene
Common Name: ent-11b,16a,17-Triacetoxyatis-13-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O6/c1-16(27)30-15-26(32-18(3)29)14-25-12-8-19(26)21(31-17(2)28)22(25)24(6)11-7-10-23(4,5)20(24)9-13-25/h8,12,19-22H,7,9-11,13-15H2,1-6H3/t19-,20+,21+,22-,24+,25+,26+/m0/s1
InChIKey: InChIKey=RTUJHLDKQVVSCV-KRZRUIFASA-N
Formula: C26H38O6
Molecular Weight: 446.577312
Exact Mass: 446.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Parra, A., Arias, J.M. J Nat Prod (1997) 60, 86-92
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) | 40.6 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 36.3 |
| 8 (C) | 39.8 |
| 9 (CH) | 59.7 |
| 10 (C) | 38.9 |
| 11 (CH) | 71.6 |
| 12 (CH) | 43 |
| 13 (CH) | 126.3 |
| 14 (CH) | 140.4 |
| 15 (CH2) | 46.6 |
| 16 (C) | 83.1 |
| 17 (CH2) | 65.4 |
| 18 (CH3) | 34 |
| 19 (CH3) | 22 |
| 20 (CH3) | 17.3 |
| 11a (C) | 170.8 |
| 11b (CH3) | 22.2 |
| 16a (C) | 170.7 |
| 16b (CH3) | 21.8 |
| 17a (C) | 170.3 |
| 17b (CH3) | 20.9 |
