Spektraris NMR
(16a)-16,17-Dihydroxy-ent-atisan-19-oic Acid Methyl Ester
Common Name: (16a)-16,17-Dihydroxy-ent-atisan-19-oic Acid Methyl Ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-18-7-4-8-19(2,17(23)25-3)15(18)6-10-20-9-5-14(11-16(18)20)21(24,12-20)13-22/h14-16,22,24H,4-13H2,1-3H3/t14-,15-,16-,18+,19+,20+,21-/m0/s1
InChIKey: InChIKey=AQBWFAPCQQHZPV-SBXZOHCASA-N
Formula: C21H34O4
Molecular Weight: 350.493059
Exact Mass: 350.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Du, Z.Z., Zhao, P.J., He, H.P., Zhu, N., Hao, X.J., Shen, Y.M. Helv Chim Acta (2005) 88, 2424-9
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) | 19 |
| 3 (CH2) | 38 |
| 4 (C) | 43.7 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 41.9 |
| 8 (C) | 44.6 |
| 9 (CH) | 55.7 |
| 10 (C) | 39.4 |
| 11 (CH2) | 18.5 |
| 12 (CH) | 45.2 |
| 13 (CH2) | 37.2 |
| 14 (CH2) | 26.1 |
| 15 (CH2) | 53 |
| 16 (C) | 81.9 |
| 17 (CH2) | 66.3 |
| 18 (CH3) | 28.7 |
| 19 (C) | 178 |
| 20 (CH3) | 15.3 |
| 19a (CH3) | 51.1 |
