Spektraris NMR
ent-Atis-13-en-15a,16b-diol
Common Name: ent-Atis-13-en-15a,16b-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-17(2)8-5-9-18(3)14(17)7-11-20-10-6-13(12-15(18)20)19(4,22)16(20)21/h6,10,13-16,21-22H,5,7-9,11-12H2,1-4H3/t13-,14+,15-,16-,18+,19+,20-/m0/s1
InChIKey: InChIKey=LNTQZMSWVHEPFP-DALQPLRMSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Abad, A., Agullo, C., Cunat, A.C., Marzal, I.D., Navarto, I., Gris, A. Tetrahedron (2006) 62, 3266-83
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) | 39.11 |
| 2 (CH2) | 18.03 |
| 3 (CH2) | 42.02 |
| 4 (C) | 34.2 |
| 5 (CH) | 55.17 |
| 6 (CH2) | 19.11 |
| 7 (CH2) | 32.93 |
| 8 (C) | 44.62 |
| 9 (CH) | 50.47 |
| 10 (C) | 37.71 |
| 11 (CH2) | 22.38 |
| 12 (CH) | 44.26 |
| 13 (CH) | 132.55 |
| 14 (CH) | 133.2 |
| 15 (CH) | 87.76 |
| 16 (C) | 77.2 |
| 17 (CH3) | 25.64 |
| 18 (CH3) | 33.65 |
| 19 (CH3) | 21.95 |
| 20 (CH3) | 15.65 |
