Spektraris NMR
Holstinone A
Common Name: Holstinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O6/c1-28(2)23-17-25(34)32(7)21-11-10-19(18-16-20(38-27(18)36-8)26(35)29(3,4)37-9)30(21,5)14-12-22(32)31(23,6)15-13-24(28)33/h11,13,15,18-20,22-23,25-27,34-35H,10,12,14,16-17H2,1-9H3/t18-,19-,20+,22+,23-,25+,26+,27+,30-,31+,32-/m0/s1
InChIKey: InChIKey=ATZQQXHDAZXAGJ-CPFPZXGTSA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mulholland, D.A., Monkhe, T.V., Taylor, D.A.H., Rajab, M.S. Phytochemistry (1999) 52, 123-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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 (CH) | 158.2 |
| 2 (CH) | 125.5 |
| 3 (C) | 205.2 |
| 4 (C) | 44.2 |
| 5 (CH) | 46.1 |
| 6 (CH2) | 24.2 |
| 7 (CH) | 71.5 |
| 8 (C) | 44.8 |
| 9 (CH) | 36.7 |
| 10 (C) | 40.2 |
| 11 (CH2) | 16.3 |
| 12 (CH2) | 34.8 |
| 13 (C) | 46.9 |
| 14 (C) | 161.6 |
| 15 (CH) | 119.6 |
| 16 (CH2) | 35.5 |
| 17 (CH) | 57.8 |
| 18 (CH3) | 19.6 |
| 19 (CH3) | 18.9 |
| 20 (CH) | 44.5 |
| 21 (CH) | 109.2 |
| 22 (CH2) | 32.5 |
| 23 (CH) | 75.1 |
| 24 (CH) | 76.2 |
| 25 (C) | 77.2 |
| 26 (CH3) | 21.5 |
| 27 (CH3) | 21.6 |
| 28 (CH3) | 27.1 |
| 29 (CH3) | 20.1 |
| 30 (CH3) | 27.5 |
| 21a (CH3) | 55.5 |
| 25a (CH3) | 49.2 |
