Spektraris NMR
Elfvingic acid G
Common Name: Elfvingic acid G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O9/c1-15(24(36)37)10-16(31)14-27(5,38)19-13-22(34)29(7)28(19,6)21(33)12-18-26(4)9-8-20(32)25(2,3)17(26)11-23(35)30(18,29)39/h12-13,15,17,22,34,38-39H,8-11,14H2,1-7H3,(H,36,37)/t15?,17-,22+,26-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=KSROOTXYLRZSJU-KWPPVOMHSA-N
Formula: C30H40O9
Molecular Weight: 544.634351
Exact Mass: 544.267233
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, K., Nishimura, N., Bando, S., Arihara, S., Matsumura, E., Katayama, S. J Nat Prod (2002) 65, 548-52
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) | 37.1 |
| 2 (CH2) | 34.7 |
| 3 (C) | 212.8 |
| 4 (C) | 48 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 36.2 |
| 7 (C) | 205.5 |
| 8 (C) | 81.6 |
| 9 (C) | 164 |
| 10 (C) | 40.4 |
| 11 (CH) | 124.9 |
| 12 (C) | 205 |
| 13 (C) | 66.9 |
| 14 (C) | 49 |
| 15 (CH) | 81.7 |
| 16 (CH) | 126.3 |
| 17 (C) | 159.6 |
| 18 (CH3) | 30.9 |
| 19 (CH3) | 20 |
| 20 (C) | 72.7 |
| 21 (CH3) | 30 |
| 22 (CH2) | 55.2 |
| 23 (C) | 207.9 |
| 24 (CH2) | 49.2 |
| 25 (CH) | 36 |
| 26 (CH3) | 18.1 |
| 27 (C) | 178.5 |
| 28 (CH3) | 25 |
| 29 (CH3) | 22 |
| 30 (CH3) | 26.1 |
