Spektraris NMR
Triterpenoid
Common Name: Triterpenoid
Synonyms: Triterpenoid
CAS Registry Number:
InChI: InChI=1S/C30H48O7S/c1-25(2)13-15-30(24(32)33)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(31)27(4,18-37-38(34,35)36)21(26)9-12-29(22,28)6/h7,20-23,31H,8-18H2,1-6H3,(H,32,33)(H,34,35,36)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=XBZYWSMVVKYHQN-MYPRUECHSA-N
Formula: C30H48O7S1
Molecular Weight: 552.765152
Exact Mass: 552.312075
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Inada A., Yamada M., Murata H., Kobayashi M., Toya H., Kato Y., Nakanishi T. Chem Pharm Bull (1988) 36, 4269
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) | 38.6 |
| 2 (CH2) | 27 |
| 3 (CH) | 71.8 |
| 4 (C) | 42.8 |
| 5 (CH) | 48 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 32.9 |
| 8 (C) | 39.7 |
| 9 (CH) | 47.9 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.4 |
| 13 (C) | 145.1 |
| 14 (C) | 42.1 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.8 |
| 17 (C) | 46.5 |
| 18 (CH) | 42 |
| 19 (CH2) | 46.7 |
| 20 (C) | 30.9 |
| 21 (CH2) | 34.2 |
| 22 (CH2) | 33.2 |
| 23 (CH2) | 70.3 |
| 24 (CH3) | 13 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 26.2 |
| 28 (C) | 180.2 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.8 |
