Spektraris NMR
29-hydroxystelliferin A
Common Name: 29-hydroxystelliferin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O5/c1-20(2)12-13-24(35)21(3)10-9-11-22(4)29-25(36)18-27-30(6)17-15-28(37-23(5)34)32(8,19-33)26(30)14-16-31(27,29)7/h9-12,24,26-28,33,35H,13-19H2,1-8H3/b11-9+,21-10+,29-22+/t24-,26+,27-,28-,30-,31-,32+/m0/s1
InChIKey: InChIKey=QDIPGNADJXRSEJ-BLOHMGETSA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Meragelman, K.M., McKee, T.C., Boyd, M.R. J Nat Prod (2001) 64, 389-92
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Isomalabaricanes; 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) | 32.9 |
| 2 (CH2) | 25.9 |
| 3 (CH) | 81.9 |
| 4 (C) | 43.4 |
| 5 (CH) | 47.6 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 38.7 |
| 8 (C) | 44.4 |
| 9 (CH) | 49.9 |
| 10 (C) | 35.3 |
| 11 (CH2) | 36.9 |
| 12 (C) | 204.5 |
| 13 (C) | 146.2 |
| 14 (C) | 141.6 |
| 15 (CH) | 133 |
| 16 (CH) | 130.3 |
| 17 (CH) | 126.8 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 21.9 |
| 20 (C) | 143.5 |
| 21 (CH3) | 12.7 |
| 22 (CH) | 77.1 |
| 23 (CH2) | 34.8 |
| 24 (CH) | 120.9 |
| 25 (C) | 134.1 |
| 26 (CH3) | 25.4 |
| 27 (CH3) | 18 |
| 28 (CH3) | 23.8 |
| 29 (CH2) | 64.4 |
| 30 (CH3) | 25 |
| 3a (C) | 169.5 |
| 3b (CH3) | 20.6 |
