Spektraris NMR
3-epi-29-hydroxystelliferin E
Common Name: 3-epi-29-hydroxystelliferin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H50O6/c1-21(2)13-14-27(39-24(5)36)22(3)11-10-12-23(4)31-26(38)19-29-32(7)18-16-30(40-25(6)37)34(9,20-35)28(32)15-17-33(29,31)8/h10-13,27-30,35H,14-20H2,1-9H3/b12-10+,22-11+,31-23+/t27-,28+,29-,30+,32-,33-,34+/m0/s1
InChIKey: InChIKey=ZFNWQRALNVEBDQ-AEJDOHNSSA-N
Formula: C34H50O6
Molecular Weight: 554.758488
Exact Mass: 554.360739
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 |
| 8 (C) | 44.5 |
| 9 (CH) | 50.1 |
| 10 (C) | 35.3 |
| 11 (CH2) | 36.7 |
| 12 (C) | 205 |
| 13 (C) | 146.7 |
| 14 (C) | 141.2 |
| 15 (CH) | 133.7 |
| 16 (CH) | 129.6 |
| 17 (CH) | 128.4 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 22.2 |
| 20 (C) | 139 |
| 21 (CH3) | 13.6 |
| 22 (CH) | 78.4 |
| 23 (CH2) | 32.3 |
| 24 (CH) | 119.6 |
| 25 (C) | 134.3 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 22 |
| 29 (CH2) | 65.8 |
| 30 (CH3) | 24.2 |
| 3a (C) | 169.6 |
| 3b (CH3) | 20.7 |
| 22a (C) | 169.4 |
| 22b (CH3) | 20.7 |
