Spektraris NMR
2b-Acetoxy-2-(debutyryloxy)stecholideEAcetate
Common Name: 2b-Acetoxy-2-(debutyryloxy)stecholideEAcetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O10/c1-12-8-9-16(31-13(2)27)23(5)17(32-14(3)28)11-18-24(6,35-18)20(23)21(33-15(4)29)26-19(10-12)34-22(30)25(26,7)36-26/h10,16-21H,8-9,11H2,1-7H3/b12-10-/t16-,17-,18-,19-,20+,21-,23-,24-,25+,26-/m0/s1
InChIKey: InChIKey=ANJHIXLYXNTIDW-NMUQWUPESA-N
Formula: C26H34O10
Molecular Weight: 506.543168
Exact Mass: 506.215197
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Sung, P.J., Huang, L.H., Lee, S.F., Wu, T.H., Chang, B.Y., Duh, C.Y., Fang, L.S., Soong, K., Lee, T.J. J Nat Prod (1996) 59, 935-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 45.17 |
| 2 (CH) | 74.95 |
| 3 (CH2) | 32.77 |
| 4 (CH2) | 28.8 |
| 5 (C) | 146.29 |
| 6 (CH) | 118.19 |
| 7 (CH) | 74.43 |
| 8 (C) | 70.61 |
| 9 (CH) | 70.07 |
| 10 (CH) | 42.11 |
| 11 (C) | 63.54 |
| 12 (CH) | 60.77 |
| 13 (CH2) | 25.11 |
| 14 (CH) | 73.78 |
| 15 (CH3) | 15.29 |
| 16 (CH3) | 27.3 |
| 17 (C) | 62.6 |
| 18 (CH3) | 10.03 |
| 19 (C) | 170.58 |
| 20 (CH3) | 24.4 |
| 2a (C) | 167.42 |
| 2b (CH3) | 21.08 |
| 9a (C) | 170.61 |
| 9b (CH3) | 21.11 |
| 14a (C) | 171.03 |
| 14b (CH3) | 21.44 |
