Spektraris NMR
maniladiol
Common Name: maniladiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=VLRYIIPJIVGFIV-QQSFYHFXSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guang Yi L., Gray A., Waterman P.G. Phytochemistry (1988) 27, 2283-6
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) | 38.5 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 78.8 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 32.6 |
| 8 (C) | 39.8 |
| 9 (CH) | 46.8 |
| 10 (C) | 37.2 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 122.2 |
| 13 (C) | 143.4 |
| 14 (C) | 43.7 |
| 15 (CH2) | 35.5 |
| 16 (CH) | 65.9 |
| 17 (C) | 36.8 |
| 18 (CH) | 49 |
| 19 (CH2) | 46.5 |
| 20 (C) | 30.8 |
| 21 (CH2) | 34.1 |
| 22 (CH2) | 30.5 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 27 |
| 28 (CH3) | 21.3 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.8 |
