Spektraris NMR
Hativene A
Common Name: Hativene A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O11/c1-14(2)25(33)40-24-19(32)11-20-27(6,21-9-18-10-23(34-7)39-26(18)38-21)15(3)8-22(37-17(5)31)28(20,12-35-16(4)30)29(24)13-36-29/h14-15,18-24,26,32H,8-13H2,1-7H3/t15-,18+,19-,20-,21+,22+,23-,24+,26-,27+,28+,29-/m1/s1
InChIKey: InChIKey=NGGYLLJIBWFQCM-CPXBAMRFSA-N
Formula: C29H44O11
Molecular Weight: 568.654188
Exact Mass: 568.288362
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ben Jannet, H., Chaari, A., Mighri, Z., Martin, M.T., Loukaci, A. Phytochemistry (1999) 52, 1541-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 30.3 |
| 2 (CH) | 71.9 |
| 3 (CH) | 72.4 |
| 4 (C) | 62.8 |
| 5 (C) | 45.2 |
| 6 (CH) | 71.4 |
| 7 (CH2) | 33.4 |
| 8 (CH) | 35.8 |
| 9 (C) | 39.8 |
| 10 (CH) | 43.3 |
| 11 (CH) | 82.8 |
| 12 (CH2) | 32.4 |
| 13 (CH) | 40 |
| 14 (CH2) | 38.1 |
| 15 (CH) | 104.7 |
| 16 (CH) | 107.4 |
| 17 (CH3) | 16.5 |
| 18 (CH2) | 42.6 |
| 19 (CH2) | 61.4 |
| 20 (CH3) | 13.8 |
| 3a (C) | 176.8 |
| 3b (CH) | 34.3 |
| 3c (CH3) | 18.8 |
| 3ba (CH3) | 18.8 |
| 6a (C) | 170.8 |
| 6b (CH3) | 20.9 |
| 15a (CH3) | 54.5 |
| 19a (C) | 172 |
| 19b (CH3) | 20.9 |
