Spektraris NMR
7β-Hydroxy-23-deoxojessic acid
Common Name: 7β-Hydroxy-23-deoxojessic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O5/c1-17(2)18(3)8-9-19(4)20-10-11-28(6)25-21(32)14-22-29(7,26(35)36)23(33)15-24(34)31(22)16-30(25,31)13-12-27(20,28)5/h17,19-25,32-34H,3,8-16H2,1-2,4-7H3,(H,35,36)/t19-,20-,21+,22+,23+,24+,25+,27-,28+,29+,30+,31-/m1/s1
InChIKey: InChIKey=AVNXWYPJFUFAOZ-OHNZCQHASA-N
Formula: C31H50O5
Molecular Weight: 502.726875
Exact Mass: 502.365825
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Banskota, A.H., Tezuka, Y., Tran, K.Q., Tanaka, K., Saiki, I., Kadota, S. J Nat Prod (2000) 63, 57-64
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 72.5 |
| 2 (CH2) | 38.8 |
| 3 (CH) | 70.5 |
| 4 (C) | 55.4 |
| 5 (CH) | 36.7 |
| 6 (CH2) | 34 |
| 7 (CH) | 69.5 |
| 8 (CH) | 54.9 |
| 9 (C) | 20.9 |
| 10 (C) | 30.7 |
| 11 (CH2) | 26.7 |
| 12 (CH2) | 33.3 |
| 13 (C) | 46 |
| 14 (C) | 49.2 |
| 15 (CH2) | 37.5 |
| 16 (CH2) | 28.8 |
| 17 (CH) | 52 |
| 18 (CH3) | 17.7 |
| 19 (CH2) | 27.8 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 35.4 |
| 23 (CH2) | 31.6 |
| 24 (C) | 156.7 |
| 25 (CH) | 34.1 |
| 26 (CH3) | 22 |
| 27 (CH3) | 21.9 |
| 28 (C) | 179.9 |
| 29 (CH3) | 9.7 |
| 30 (CH3) | 19 |
| 24a (CH2) | 106.6 |
