Spektraris NMR
Garcihombronane J
Common Name: Garcihombronane J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O4/c1-19(17-21(32)18-20(2)27(34)35-8)22-11-15-31(7)24-9-10-25-28(3,4)26(33)13-14-29(25,5)23(24)12-16-30(22,31)6/h11-12,19-20,24-26,33H,9-10,13-18H2,1-8H3/t19-,20-,24-,25+,26-,29-,30-,31+/m1/s1
InChIKey: InChIKey=QIMIUNGNQNMMLJ-NDWGWJLQSA-N
Formula: C31H48O4
Molecular Weight: 484.711589
Exact Mass: 484.35526
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Saelim, S., Karnsomchoke, P., Phongpaichit, S. J Nat Prod (2005) 68, 1222-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 30.5 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 76.2 |
| 4 (C) | 37.9 |
| 5 (CH) | 46.7 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 40 |
| 9 (C) | 149.4 |
| 10 (C) | 39.6 |
| 11 (CH) | 114.2 |
| 12 (CH2) | 31.1 |
| 13 (C) | 50.9 |
| 14 (C) | 46.7 |
| 15 (CH2) | 40.8 |
| 16 (CH) | 120.3 |
| 17 (C) | 155.7 |
| 18 (CH3) | 19.4 |
| 19 (CH3) | 21.9 |
| 20 (CH) | 28 |
| 21 (CH3) | 21.1 |
| 22 (CH2) | 49.5 |
| 23 (C) | 208.2 |
| 24 (CH2) | 46.6 |
| 25 (CH) | 34.5 |
| 26 (C) | 176.3 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 22.5 |
| 29 (CH3) | 28.4 |
| 30 (CH3) | 19.9 |
| 26a (CH3) | 51.8 |
