Spektraris NMR
Elfvingic acid C
Common Name: Elfvingic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,20,22-23,32,34,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15?,17-,20-,22+,23-,26-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=AJWHGXHFEQATTC-XANCBLEJSA-N
Formula: C30H42O8
Molecular Weight: 530.650828
Exact Mass: 530.287968
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) | 37.3 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 77.4 |
| 4 (C) | 40.3 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 21.8 |
| 7 (CH) | 58.5 |
| 8 (C) | 63.4 |
| 9 (C) | 165.4 |
| 10 (C) | 38.9 |
| 11 (CH) | 125.9 |
| 12 (C) | 204.2 |
| 13 (C) | 63.9 |
| 14 (C) | 48.1 |
| 15 (CH) | 79.9 |
| 16 (CH) | 127.3 |
| 17 (C) | 159 |
| 18 (CH3) | 28.3 |
| 19 (CH3) | 21.8 |
| 20 (C) | 72.5 |
| 21 (CH3) | 30 |
| 22 (CH2) | 55.1 |
| 23 (C) | 208.1 |
| 24 (CH2) | 49.1 |
| 25 (CH) | 35.9 |
| 26 (CH3) | 17.7 |
| 27 (C) | 178.5 |
| 28 (CH3) | 28.6 |
| 29 (CH3) | 16.2 |
| 30 (CH3) | 25.6 |
