Spektraris NMR
9a,14a-Diacetoxy-2b,3a-dihydroxy-1(15),8(19)-trinervitadiene
Common Name: 9a,14a-Diacetoxy-2b,3a-dihydroxy-1(15),8(19)-trinervitadiene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O6/c1-12-7-8-18(29-15(4)25)13(2)17-9-10-24(6)21(17)14(3)20(22(27)23(24)28)19(11-12)30-16(5)26/h12,17-19,21-23,27-28H,2,7-11H2,1,3-6H3/t12-,17-,18+,19-,21+,22+,23-,24-/m0/s1
InChIKey: InChIKey=DUKWBKXNUBUWDR-YGWOOMRRSA-N
Formula: C24H36O6
Molecular Weight: 420.539958
Exact Mass: 420.251189
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) | 133.6 |
| 2 (CH) | 73.3 |
| 3 (CH) | 72.2 |
| 4 (C) | 46.6 |
| 5 (CH2) | 36.3 |
| 6 (CH2) | 31.1 |
| 7 (CH) | 52.1 |
| 8 (C) | 151.9 |
| 9 (CH) | 69 |
| 10 (CH2) | 32.6 |
| 11 (CH2) | 33 |
| 12 (CH) | 25.2 |
| 13 (CH2) | 37.6 |
| 14 (CH) | 70.7 |
| 15 (C) | 133.7 |
| 16 (CH) | 57.4 |
| 17 (CH3) | 22 |
| 18 (CH3) | 20.1 |
| 19 (CH2) | 117.8 |
| 20 (CH3) | 23.4 |
| 9a (C) | 171.1 |
| 9b (CH3) | 21.4 |
| 14a (C) | 170.6 |
| 14b (CH3) | 21.1 |
