Spektraris NMR
ent-3b,16a,17-Trihydroxyatis-13-en-11-one
Common Name: ent-3b,16a,17-Trihydroxyatis-13-en-11-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-17(2)13-5-9-19-8-4-12(20(24,10-19)11-21)15(23)16(19)18(13,3)7-6-14(17)22/h4,8,12-14,16,21-22,24H,5-7,9-11H2,1-3H3/t12-,13+,14+,16-,18+,19+,20+/m0/s1
InChIKey: InChIKey=OVFTZWDNXFNROM-OZGBQCQWSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
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) | 39.2 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 79.3 |
| 4 (C) | 40.2 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 37.9 |
| 8 (C) | 40.4 |
| 9 (CH) | 62.3 |
| 10 (C) | 42.6 |
| 11 (C) | 212.8 |
| 12 (CH) | 60 |
| 13 (CH) | 124.3 |
| 14 (CH) | 142.8 |
| 15 (CH2) | 48.5 |
| 16 (C) | 77.8 |
| 17 (CH2) | 68.7 |
| 18 (CH3) | 29 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 16.3 |
