Spektraris NMR
3b,5b,16a-Trihydroxyhalima-13(14)-en-16,15-olide
Common Name: 3b,5b,16a-Trihydroxyhalima-13(14)-en-16,15-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-12-7-10-20(24)14(5-6-15(21)18(20,2)3)19(12,4)9-8-13-11-16(22)25-17(13)23/h11-12,14-15,17,21,23-24H,5-10H2,1-4H3/t12-,14-,15+,17+,19+,20-/m1/s1
InChIKey: InChIKey=YAGMCYJJNFHJLU-PGYBWPQXSA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chen, C.Y., Chang, F.R., Shih, Y.C., Hsieh, T.J., Chia, Y.C., Tseng, H.Y., Chen, H.C., Chen, S.J., Hsu, M.C., Wu, Y.C. J Nat Prod (2000) 63, 1475-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 17.6 |
| 2 (CH2) | 31 |
| 3 (CH) | 76.9 |
| 4 (C) | 42.6 |
| 5 (C) | 77.3 |
| 6 (CH2) | 33.5 |
| 7 (CH2) | 27.8 |
| 8 (CH) | 37.4 |
| 9 (C) | 39.8 |
| 10 (CH) | 41.4 |
| 11 (CH2) | 36.5 |
| 12 (CH2) | 22.5 |
| 13 (C) | 173.3 |
| 14 (CH) | 117.4 |
| 15 (C) | 173.8 |
| 16 (CH) | 101.4 |
| 17 (CH3) | 16.4 |
| 18 (CH3) | 21.2 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 18.7 |
