Spektraris NMR
Hypodiol
Common Name: Hypodiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h21-24,31-32H,9-18H2,1-8H3/t21-,22?,23+,24-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=PLLRCYPRRCRXHG-SYZUGJCLSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duan, H.G., Kawazoe, K., Bando, M., Kido, M., Takaishi, Y. Phytochemistry (1997) 46, 535-43
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) | 41.1 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 78.6 |
| 4 (C) | 39.3 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 35.9 |
| 8 (C) | 41.9 |
| 9 (CH) | 56.2 |
| 10 (C) | 38.9 |
| 11 (CH) | 70.3 |
| 12 (CH2) | 37.6 |
| 13 (C) | 132.4 |
| 14 (C) | 44.3 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 39.2 |
| 17 (C) | 34.5 |
| 18 (C) | 134.3 |
| 19 (CH2) | 38.7 |
| 20 (C) | 33.4 |
| 21 (CH2) | 35.3 |
| 22 (CH2) | 36.6 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 19 |
| 27 (CH3) | 21 |
| 28 (CH3) | 23.7 |
| 29 (CH3) | 32.4 |
| 30 (CH3) | 24 |
