Spektraris NMR
16alpha-Hydroxyprotobassic acid
Common Name: 16alpha-Hydroxyprotobassic acid
Synonyms: 16alpha-Hydroxyprotobassic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O7/c1-25(2)9-10-30(24(36)37)17(11-25)16-7-8-20-26(3)12-19(33)23(35)27(4,15-31)22(26)18(32)13-29(20,6)28(16,5)14-21(30)34/h7,17-23,31-35H,8-15H2,1-6H3,(H,36,37)/t17-,18+,19-,20+,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=KKWGQGDQEJNURS-BYZWDMGWSA-N
Formula: C30H48O7
Molecular Weight: 520.699068
Exact Mass: 520.340004
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nigam S. K., Li X., Wang D., Misra G., Yang C. Phytochemistry (1992) 31, 3169
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 47.5 |
| 2 (CH) | 71.9 |
| 3 (CH) | 73.4 |
| 4 (C) | 43.5 |
| 5 (CH) | 49.1 |
| 6 (CH) | 67.9 |
| 7 (CH2) | 41.4 |
| 8 (C) | 39.5 |
| 9 (CH) | 48.3 |
| 10 (C) | 37.2 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 123 |
| 13 (C) | 144.6 |
| 14 (C) | 42.9 |
| 15 (CH2) | 36.3 |
| 16 (CH) | 74.9 |
| 17 (C) | 49.5 |
| 18 (CH) | 41.7 |
| 19 (CH2) | 47.4 |
| 20 (C) | 31 |
| 21 (CH2) | 36.2 |
| 22 (CH2) | 32.7 |
| 23 (CH2) | 67.8 |
| 24 (CH3) | 16 |
| 25 (CH3) | 19 |
| 26 (CH3) | 18.7 |
| 27 (CH3) | 27.5 |
| 28 (C) | 180.1 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 24.9 |
