Spektraris NMR
Garcihombronane I monoacetate
Common Name: Garcihombronane I monoacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O5/c1-20(27(34)35)10-9-11-21(2)29(6)18-19-30(7)24(29)14-17-32(36)25(30)13-12-23-28(4,5)26(37-22(3)33)15-16-31(23,32)8/h10,14,21,23,25-26,36H,9,11-13,15-19H2,1-8H3,(H,34,35)/b20-10+/t21-,23+,25+,26+,29+,30-,31+,32-/m1/s1
InChIKey: InChIKey=JVVAQFJTPCKPKA-SFULQNEOSA-N
Formula: C32H50O5
Molecular Weight: 514.737611
Exact Mass: 514.365825
NMR Solvent: CDCl3
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 : Friedolanostanes; 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) | 23.6 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 80.1 |
| 4 (C) | 37.6 |
| 5 (CH) | 45.2 |
| 6 (CH2) | 21 |
| 7 (CH2) | 23 |
| 8 (CH) | 47.2 |
| 9 (C) | 76 |
| 10 (C) | 42.5 |
| 11 (CH2) | 35.3 |
| 12 (CH) | 115.5 |
| 13 (C) | 156.8 |
| 14 (C) | 45 |
| 15 (CH2) | 38.8 |
| 16 (CH2) | 34.1 |
| 17 (C) | 48.7 |
| 18 (CH3) | 26.2 |
| 19 (CH3) | 17 |
| 20 (CH) | 41.9 |
| 21 (CH3) | 15.4 |
| 22 (CH2) | 30.7 |
| 23 (CH2) | 27.6 |
| 24 (CH) | 145.7 |
| 25 (C) | 126.5 |
| 26 (C) | 172.3 |
| 27 (CH3) | 12.1 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 19.8 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
