Spektraris NMR
Inonotsuoxide B
Common Name: Inonotsuoxide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-18(22-17-25(32)27(4,5)33-22)19-11-15-30(8)21-9-10-23-26(2,3)24(31)13-14-28(23,6)20(21)12-16-29(19,30)7/h18-19,22-25,31-32H,9-17H2,1-8H3/t18-,19+,22-,23-,24-,25-,28+,29+,30-/m0/s1
InChIKey: InChIKey=DEFBHVGGCIFMGI-TUWHUXBLSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nakata, T., Yamada, T., Taji, S., Ohishi, H., Wada, S., Tokuda, H., Sakuma, K., Tanaka, R. Bioorg Med Chem (2007) 15, 257-64
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) | 134.2 |
| 9 (C) | 134.6 |
| 10 (C) | 37 |
| 11 (CH2) | 21 |
| 12 (CH2) | 30.9 |
| 13 (C) | 45 |
| 14 (C) | 49.3 |
| 15 (CH2) | 31 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 47.9 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 19.1 |
| 20 (CH) | 38.2 |
| 21 (CH3) | 12.5 |
| 22 (CH) | 76.7 |
| 23 (CH2) | 34.1 |
| 24 (CH) | 78.3 |
| 25 (C) | 81.4 |
| 26 (CH3) | 25.5 |
| 27 (CH3) | 22.5 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 24.3 |
