Spektraris NMR
2,3-Dihydroxy-6beta-(1-hydroxyethyl)-24-nor-D:A-friedooleanane-1,3,5(10),7-tetrene-29-oic acid
Common Name: 2,3-Dihydroxy-6beta-(1-hydroxyethyl)-24-nor-D:A-friedooleanane-1,3,5(10),7-tetrene-29-oic acid
Synonyms: 2,3-Dihydroxy-6beta-(1-hydroxyethyl)-24-nor-D:A-friedooleanane-1,3,5(10),7-tetrene-29-oic acid
CAS Registry Number:
InChI: InChI=1S/C31H44O5/c1-17-24-19(18(2)32)14-22-29(5,20(24)15-21(33)25(17)34)11-13-31(7)23-16-28(4,26(35)36)9-8-27(23,3)10-12-30(22,31)6/h14-15,18-19,23,32-34H,8-13,16H2,1-7H3,(H,35,36)/t18?,19-,23+,27+,28+,29-,30+,31-/m0/s1
InChIKey: InChIKey=UZTWKCSXTUDYPH-CPNBMZKQSA-N
Formula: C31H44O5
Molecular Weight: 496.679231
Exact Mass: 496.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duan, H.Q., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Tori, M., Takaoka, S., Jia, Y.F., Li, D. Tetrahedron (2001) 57, 8413-24
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) | 109.7 |
| 2 (C) | 142.7 |
| 3 (C) | 140.5 |
| 4 (C) | 121.6 |
| 5 (C) | 125.3 |
| 6 (CH) | 44.7 |
| 7 (CH) | 119.8 |
| 8 (C) | 150.3 |
| 9 (C) | 37.8 |
| 10 (C) | 142.2 |
| 11 (CH2) | 36.8 |
| 12 (CH2) | 30.5 |
| 13 (C) | 38 |
| 14 (C) | 44.1 |
| 15 (CH2) | 29.1 |
| 16 (CH2) | 36.8 |
| 17 (C) | 30.5 |
| 18 (CH) | 44.4 |
| 19 (CH2) | 30.5 |
| 20 (C) | 40.1 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 34.8 |
| 23 (CH3) | 12.7 |
| 25 (CH3) | 35.5 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 31.5 |
| 29 (C) | 181.6 |
| 30 (CH3) | 32.8 |
| 6a (CH) | 73.3 |
| 6b (CH3) | 20.4 |
