Spektraris NMR
Hennadiol
Common Name: Hennadiol
Synonyms: Hennadiol
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=ZNUAKACHFYTNFX-QGTGJCAVSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ullah, N., Ahmed, Z., Ahmed, S., Muhammad, P., Malik, A. Phytochemistry (1999) 50, 839-41
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 38.27 |
| 2 (CH2) | 27.16 |
| 3 (CH) | 76.63 |
| 4 (C) | 38.48 |
| 5 (CH) | 54.89 |
| 6 (CH2) | 17.96 |
| 7 (CH2) | 33.93 |
| 8 (C) | 40.46 |
| 9 (CH) | 49.9 |
| 10 (C) | 36.71 |
| 11 (CH2) | 20.55 |
| 12 (CH2) | 26 |
| 13 (CH) | 37.58 |
| 14 (C) | 42.34 |
| 15 (CH2) | 27.05 |
| 16 (CH2) | 35.02 |
| 17 (C) | 42.52 |
| 18 (CH) | 48.07 |
| 19 (CH) | 43.21 |
| 20 (C) | 155.05 |
| 21 (CH2) | 28.96 |
| 22 (CH2) | 39.35 |
| 23 (CH3) | 28.09 |
| 24 (CH3) | 15.74 |
| 25 (CH3) | 15.74 |
| 26 (CH3) | 15.88 |
| 27 (CH3) | 14.35 |
| 28 (CH3) | 17.45 |
| 29 (CH2) | 105.69 |
| 30 (CH2) | 62.7 |
