Spektraris NMR
24-(Cis-Ferulyl)oxy-3b-hydroxyurs-12-en-28-oic acid
Common Name: 24-(Cis-Ferulyl)oxy-3b-hydroxyurs-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H56O7/c1-24-14-19-40(35(44)45)21-20-38(5)27(34(40)25(24)2)10-12-31-36(3)17-16-32(42)37(4,30(36)15-18-39(31,38)6)23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9-/t24-,25+,30-,31-,32+,34+,36+,37-,38-,39-,40+/m1/s1
InChIKey: InChIKey=VXDVEQQZHDXFGF-HBACOYAXSA-N
Formula: C40H56O7
Molecular Weight: 648.869953
Exact Mass: 648.402604
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh C.Y., Pezzuto J.M., Kinghorn A.D., Leung S.L., J Nat Prod (1987) 50, 63
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 38.9 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 79.6 |
| 4 (C) | 42.5 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 33.4 |
| 8 (C) | 39.7 |
| 9 (CH) | 47.9 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.3 |
| 12 (CH) | 125.8 |
| 13 (C) | 138.2 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.6 |
| 17 (C) | 48.2 |
| 18 (CH) | 52.8 |
| 19 (CH) | 39.3 |
| 20 (CH) | 39.1 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 36.9 |
| 23 (CH3) | 22.6 |
| 24 (CH2) | 65.7 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17 |
| 27 (CH3) | 23.8 |
| 28 (C) | 183.8 |
| 29 (CH3) | 17.3 |
| 30 (CH3) | 21.4 |
| 24a (C) | 166.6 |
| 24b (CH) | 116.7 |
| 24c (CH) | 146.3 |
| 24d (C) | 125.8 |
| 24e (CH) | 109.6 |
| 24f (C) | 144.7 |
| 24g (C) | 147.8 |
| 24h (CH) | 113.1 |
| 24i (CH) | 114.2 |
| 24j (CH3) | 56.3 |
