Spektraris NMR
3a,14a-Diacetoxy-2b-hydroxy-1(15),8(19),9-trinervitatriene
Common Name: 3a,14a-Diacetoxy-2b-hydroxy-1(15),8(19),9-trinervitatriene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O5/c1-13-8-7-9-14(2)18-10-11-24(6)21(18)15(3)20(19(12-13)28-16(4)25)22(27)23(24)29-17(5)26/h7,9,13,18-19,21-23,27H,2,8,10-12H2,1,3-6H3/b9-7+/t13-,18+,19+,21-,22-,23+,24+/m1/s1
InChIKey: InChIKey=MUFPONHNLINTSX-PJIRUPQNSA-N
Formula: C24H34O5
Molecular Weight: 402.524672
Exact Mass: 402.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Laurent, P., Daloze, D., Pasteels, J.M., Braekman, J.C. J Nat Prod (2005) 68, 532-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trinervitanes; 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) | 130.3 |
| 2 (CH) | 70.6 |
| 3 (CH) | 77 |
| 4 (C) | 45.8 |
| 5 (CH2) | 36.3 |
| 6 (CH2) | 31.1 |
| 7 (CH) | 49.3 |
| 8 (C) | 150.2 |
| 9 (CH) | 132.2 |
| 10 (CH) | 129.8 |
| 11 (CH2) | 38.2 |
| 12 (CH) | 29.7 |
| 13 (CH2) | 38.9 |
| 14 (CH) | 70.9 |
| 15 (C) | 134.8 |
| 16 (CH) | 58.9 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 21.7 |
| 19 (CH2) | 110.2 |
| 20 (CH3) | 23.7 |
| 3a (C) | 172.4 |
| 3b (CH3) | 21.3 |
| 14a (C) | 170.8 |
| 14b (CH3) | 21.2 |
