Spektraris NMR
(16a)-17-Hydroxy-ent-atisan-19-oic Acid Methyl Ester
Common Name: (16a)-17-Hydroxy-ent-atisan-19-oic Acid Methyl Ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-19-7-4-8-20(2,18(23)24-3)16(19)6-10-21-9-5-14(11-17(19)21)15(12-21)13-22/h14-17,22H,4-13H2,1-3H3/t14-,15-,16-,17-,19+,20+,21+/m0/s1
InChIKey: InChIKey=YSYQTDVOZWSRET-OOPZRWPMSA-N
Formula: C21H34O3
Molecular Weight: 334.493654
Exact Mass: 334.250795
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) | 40.8 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 38.1 |
| 4 (C) | 43.7 |
| 5 (CH) | 57 |
| 6 (CH2) | 22.4 |
| 7 (CH2) | 41.5 |
| 8 (C) | 44.8 |
| 9 (CH) | 55.9 |
| 10 (C) | 39.3 |
| 11 (CH2) | 18.8 |
| 12 (CH) | 38.1 |
| 13 (CH2) | 37 |
| 14 (CH2) | 31.1 |
| 15 (CH2) | 44.8 |
| 16 (CH) | 39.9 |
| 17 (CH2) | 72.6 |
| 18 (CH3) | 28.8 |
| 19 (C) | 178.1 |
| 20 (CH3) | 15.3 |
| 19a (CH3) | 51.1 |
