Spektraris NMR
Adenanthin D
Common Name: Adenanthin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O9/c1-13-18-9-19(34-14(2)29)24-27(8)20(26(6,7)21(33)11-22(27)35-15(3)30)10-23(36-16(4)31)28(24,12-18)25(13)37-17(5)32/h18-25,33H,1,9-12H2,2-8H3/t18-,19+,20-,21+,22+,23+,24+,25-,27+,28+/m1/s1
InChIKey: InChIKey=VJFGJFZMXPGVNL-CWUSNDRHSA-N
Formula: C28H40O9
Molecular Weight: 520.61288
Exact Mass: 520.267233
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Jiang, B., Yang, H., Li, M.L., Hou, A.J., Han, Q.B., Wang, S.J., Li, S.H., Sun, H.D. J Nat Prod (2002) 65, 1111-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH) | 80.3 |
| 2 (CH2) | 33.6 |
| 3 (CH) | 75.1 |
| 4 (C) | 37.6 |
| 5 (CH) | 39.1 |
| 6 (CH2) | 24.2 |
| 7 (CH) | 79.5 |
| 8 (C) | 47.1 |
| 9 (CH) | 51.5 |
| 10 (C) | 43 |
| 11 (CH) | 69 |
| 12 (CH2) | 40.3 |
| 13 (CH) | 38.9 |
| 14 (CH2) | 36 |
| 15 (CH) | 79.9 |
| 16 (C) | 153.1 |
| 17 (CH2) | 106.2 |
| 18 (CH3) | 28.8 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 14.2 |
| 1a (C) | 170.8 |
| 1b (CH3) | 22.1 |
| 7a (C) | 170.4 |
| 7b (CH3) | 21.4 |
| 11a (C) | 170 |
| 11b (CH3) | 21.2 |
| 15a (C) | 169.9 |
| 15b (CH3) | 21.1 |
