Spektraris NMR
(E)-2a,5a,8a-Triacetoxy-3b-benzoyloxy-15b-hydroxy-7b-isobutanoyloxy-9a-nicotinoyloxyjatropha-6(17),11-dien-14-one
Common Name: (E)-2a,5a,8a-Triacetoxy-3b-benzoyloxy-15b-hydroxy-7b-isobutanoyloxy-9a-nicotinoyloxyjatropha-6(17),11-dien-14-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H51NO14/c1-23(2)38(49)55-33-25(4)32(53-26(5)45)31-36(56-39(50)29-15-12-11-13-16-29)42(10,58-28(7)47)22-43(31,52)35(48)24(3)18-19-41(8,9)37(34(33)54-27(6)46)57-40(51)30-17-14-20-44-21-30/h11-21,23-24,31-34,36-37,52H,4,22H2,1-3,5-10H3/b19-18+/t24-,31-,32-,33-,34+,36+,37+,42+,43+/m0/s1
InChIKey: InChIKey=YEQKDAHCGDUGOP-FJGNSOJESA-N
Formula: C43H51N1O14
Molecular Weight: 805.865034
Exact Mass: 805.330955
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hohmann, J., Evanics, F., Berta, L., Bartok, T. Planta Med (2000) 66, 291-4
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) | 51.5 |
| 2 (C) | 89 |
| 3 (CH) | 78 |
| 4 (CH) | 48 |
| 5 (CH) | 67.9 |
| 6 (C) | 143.9 |
| 7 (CH) | 67.4 |
| 8 (CH) | 70.7 |
| 9 (CH) | 81.6 |
| 10 (C) | 41.2 |
| 11 (CH) | 137.3 |
| 12 (CH) | 130.4 |
| 13 (CH) | 44.1 |
| 14 (C) | 212 |
| 15 (C) | 87.6 |
| 16 (CH3) | 20.5 |
| 17 (CH2) | 113.2 |
| 18 (CH3) | 26.3 |
| 19 (CH3) | 23.3 |
| 20 (CH3) | 19.9 |
| 2a (C) | 170.4 |
| 2b (CH3) | 22.5 |
| 3a (C) | 164.9 |
| 3b (C) | 129.4 |
| 3c (CH) | 130.1 |
| 3d (CH) | 128.4 |
| 3e (CH) | 133.2 |
| 3f (CH) | 128.4 |
| 3g (CH) | 129.4 |
| 5a (C) | 169.2 |
| 5b (CH3) | 20.9 |
| 7a (C) | 175.3 |
| 7b (CH) | 33.6 |
| 7c (CH3) | 18.9 |
| 7ba (CH3) | 17.6 |
| 8a (C) | 169.9 |
| 8b (CH3) | 20.6 |
| 9a (C) | 164 |
| 9b (C) | 137.5 |
| 9c (CH) | 151.3 |
| 9d (CH) | 153.9 |
| 9e (CH) | 123.5 |
| 9f (CH) | 125.4 |
