Spektraris NMR
3-Epidehydrotumulosic acid
Common Name: 3-Epidehydrotumulosic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25-,26+,29-,30-,31+/m1/s1
InChIKey: InChIKey=LADJWZMBZBVBSB-HSGZZQKSSA-N
Formula: C31H48O4
Molecular Weight: 484.711589
Exact Mass: 484.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tai, T., Shingu, T., Kikuchi, T., Tezuka, Y., Akahori, A. Phytochemistry (1995) 39, 1165-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 30.6 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 75.1 |
| 4 (C) | 38 |
| 5 (CH) | 43.7 |
| 6 (CH2) | 23.4 |
| 7 (CH) | 121.2 |
| 8 (C) | 142.8 |
| 9 (C) | 146.6 |
| 10 (C) | 37.9 |
| 11 (CH) | 116.1 |
| 12 (CH2) | 36.3 |
| 13 (C) | 45.2 |
| 14 (C) | 49.5 |
| 15 (CH2) | 44.4 |
| 16 (CH) | 76.5 |
| 17 (CH) | 57.6 |
| 18 (CH3) | 17.7 |
| 19 (CH3) | 23 |
| 20 (CH) | 48.5 |
| 21 (C) | 178.6 |
| 22 (CH2) | 31.5 |
| 23 (CH2) | 33.2 |
| 24 (C) | 156 |
| 25 (CH) | 34.1 |
| 26 (CH3) | 22 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 29.2 |
| 29 (CH3) | 23.1 |
| 30 (CH3) | 26.6 |
| 24a (CH2) | 107 |
