Spektraris NMR
22b-Hydroxypristimerin
Common Name: 22b-Hydroxypristimerin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O5/c1-17-18-8-9-21-27(3,19(18)14-20(31)24(17)33)10-12-30(6)22-15-26(2,25(34)35-7)16-23(32)28(22,4)11-13-29(21,30)5/h8-9,14,22-23,32-33H,10-13,15-16H2,1-7H3/t22-,23-,26+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=FCLVVMYYLOUUBE-ZAJOBMQLSA-N
Formula: C30H40O5
Molecular Weight: 480.636732
Exact Mass: 480.287574
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jeller, A.H., Silva, D.H., Liao, L.M., Bolzani Vda, S., Furlan, M. Phytochemistry (2004) 65, 1977-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) | 119.5 |
| 2 (C) | 178.3 |
| 3 (C) | 146 |
| 4 (C) | 117.2 |
| 5 (C) | 127.3 |
| 6 (CH) | 134 |
| 7 (CH) | 118 |
| 8 (C) | 169.7 |
| 9 (C) | 42.4 |
| 10 (C) | 164.6 |
| 11 (CH2) | 33.5 |
| 12 (CH2) | 29.5 |
| 13 (C) | 39.2 |
| 14 (C) | 44.5 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 36.1 |
| 17 (C) | 38.1 |
| 18 (CH) | 46.1 |
| 19 (CH2) | 30.8 |
| 20 (C) | 42.6 |
| 21 (CH2) | 38.1 |
| 22 (CH) | 67.9 |
| 23 (CH3) | 10.1 |
| 25 (CH3) | 38.1 |
| 26 (CH3) | 21.6 |
| 27 (CH3) | 19 |
| 28 (CH3) | 24 |
| 29 (C) | 178.2 |
| 30 (CH3) | 32.2 |
| 29a (CH3) | 51.6 |
