Spektraris NMR
3-epi-29-hydroxystelliferin A
Common Name: 3-epi-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-VTVVVRLLSA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Oku, N., Matsunaga, S., Wada, S., Watabe, S., Fusetani, N. J Nat Prod (2000) 63, 205-9
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) | 29.4 |
| 2 (CH2) | 24.7 |
| 3 (CH) | 73.8 |
| 4 (C) | 43.2 |
| 5 (CH) | 42.3 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 39.1 |
| 8 (C) | 44.5 |
| 9 (CH) | 50.2 |
| 10 (C) | 35.3 |
| 11 (CH2) | 36.8 |
| 12 (C) | 205.2 |
| 13 (C) | 146.3 |
| 14 (C) | 141.7 |
| 15 (CH) | 132.9 |
| 16 (CH) | 130.3 |
| 17 (CH) | 126.7 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 22.2 |
| 20 (C) | 143.7 |
| 21 (CH3) | 12.6 |
| 22 (CH) | 77 |
| 23 (CH2) | 34.7 |
| 24 (CH) | 120.8 |
| 25 (C) | 134 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 22 |
| 29 (CH2) | 65.8 |
| 30 (CH3) | 24.2 |
| 3a (C) | 169.6 |
| 3b (CH3) | 20.7 |
