Spektraris NMR
3β,5α,8α,9α,15β-pentaacetoxy-2α,7β-dibenzo-yloxyjatropha-6(17),11E-dien-14-one
Common Name: 3β,5α,8α,9α,15β-pentaacetoxy-2α,7β-dibenzo-yloxyjatropha-6(17),11E-dien-14-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H50O15/c1-24-21-22-42(8,9)39(56-29(6)48)36(54-27(4)46)35(57-40(51)31-17-13-11-14-18-31)25(2)34(53-26(3)45)33-38(55-28(5)47)43(10,23-44(33,37(24)50)58-30(7)49)59-41(52)32-19-15-12-16-20-32/h11-22,24,33-36,38-39H,2,23H2,1,3-10H3/b22-21+/t24-,33-,34-,35-,36+,38+,39+,43+,44+/m0/s1
InChIKey: InChIKey=FFSRBMPSPCZRMK-SUTOOOGSSA-N
Formula: C44H50O15
Molecular Weight: 818.860491
Exact Mass: 818.314971
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duarte, N., Lage, H., Ferreira, M.J. Planta Med (2008) 74, 61-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatrophanes; 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) | 46.8 |
| 2 (C) | 88.3 |
| 3 (CH) | 79.1 |
| 4 (CH) | 46.2 |
| 5 (CH) | 71.4 |
| 6 (C) | 134.9 |
| 7 (CH) | 66.4 |
| 8 (CH) | 70.1 |
| 9 (CH) | 81.9 |
| 10 (C) | 39.8 |
| 11 (CH) | 134.7 |
| 12 (CH) | 130.4 |
| 13 (CH) | 43.5 |
| 14 (C) | 204.1 |
| 15 (C) | 90.5 |
| 16 (CH3) | 18.8 |
| 17 (CH2) | 122.9 |
| 18 (CH3) | 25 |
| 19 (CH3) | 23.5 |
| 20 (CH3) | 19.8 |
| 2a (C) | 165.3 |
| 2b (C) | 130.8 |
| 2c (CH) | 130.2 |
| 2d (CH) | 128.8 |
| 2e (CH) | 133.4 |
| 2f (CH) | 128.8 |
| 2g (CH) | 130.2 |
| 3a (C) | 169.5 |
| 3b (CH3) | 20.8 |
| 5a (C) | 169.3 |
| 5b (CH3) | 20.5 |
| 7a (C) | 165.2 |
| 7b (C) | 130.7 |
| 7c (CH) | 129.8 |
| 7d (CH) | 128.4 |
| 7e (CH) | 133.3 |
| 7f (CH) | 128.4 |
| 7g (CH) | 129.8 |
| 8a (C) | 170.3 |
| 8b (CH3) | 21.1 |
| 9a (C) | 169.9 |
| 9b (CH3) | 20.3 |
| 15a (C) | 169.5 |
| 15b (CH3) | 21.3 |
