Spektraris NMR
Maytefolin B
Common Name: Maytefolin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)12-14-30(18-31)15-13-28(6)19(20(30)16-25)8-9-23-27(5)17-21(32)24(33)26(3,4)22(27)10-11-29(23,28)7/h16,19,21-23,31-32H,8-15,17-18H2,1-7H3/t19-,21-,22+,23-,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=PQCMWOGZTLKPKA-FTVLWJDISA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ohsaki, A., Imai, Y., Naruse, M., Ayabe, S., Komiyama, K., Takashima, J. J Nat Prod (2004) 67, 469-71
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) | 50.1 |
| 2 (CH) | 69.4 |
| 3 (C) | 216.6 |
| 4 (C) | 47.8 |
| 5 (CH) | 58 |
| 6 (CH2) | 19 |
| 7 (CH2) | 34.3 |
| 8 (C) | 41 |
| 9 (CH) | 50.8 |
| 10 (C) | 38 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 26 |
| 13 (CH) | 38.5 |
| 14 (C) | 43.3 |
| 15 (CH2) | 27.3 |
| 16 (CH2) | 31.2 |
| 17 (C) | 39.5 |
| 18 (C) | 138.2 |
| 19 (CH) | 134.8 |
| 20 (C) | 32.3 |
| 21 (CH2) | 33.2 |
| 22 (CH2) | 31.6 |
| 23 (CH3) | 24.6 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 14.6 |
| 28 (CH2) | 65.6 |
| 29 (CH3) | 31.3 |
| 30 (CH3) | 29.2 |
