Spektraris NMR
Inonotsutriol B
Common Name: Inonotsutriol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-26(2)23-11-10-21-20(28(23,5)15-14-24(26)31)13-17-29(6)19(12-16-30(21,29)7)18-8-9-22(25(18)32)27(3,4)33/h18-19,22-25,31-33H,8-17H2,1-7H3/t18-,19-,22-,23+,24+,25-,28-,29-,30+/m1/s1
InChIKey: InChIKey=GYYKDEKKJBJCPY-WJBNMFORSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Taji, S., Yamada, T., Tanaka, R. Helv Chim Acta (2008) 91, 1513-24
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.6 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 79 |
| 4 (C) | 38.9 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 26.5 |
| 8 (C) | 134.3 |
| 9 (C) | 134.4 |
| 10 (C) | 37 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 30.6 |
| 13 (C) | 45.4 |
| 14 (C) | 48.6 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 19.1 |
| 20 (CH) | 48.9 |
| 21 (CH) | 81.4 |
| 22 (CH2) | 23.9 |
| 23 (CH2) | 27.3 |
| 24 (CH) | 56 |
| 25 (C) | 73.5 |
| 26 (CH3) | 30.3 |
| 27 (CH3) | 24.2 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 24.3 |
