Spektraris NMR
Elfvingic acid H
Common Name: Elfvingic acid H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O8/c1-15(2)19-13-24-30(38-24)21(27(19,5)9-8-25(34)35)14-22(32)28(6)20(12-23(33)29(28,30)7)16(3)10-18(31)11-17(4)26(36)37/h10,14,17-20,23-24,31,33H,1,8-9,11-13H2,2-7H3,(H,34,35)(H,36,37)/b16-10-/t17?,18?,19-,20+,23+,24+,27-,28-,29+,30-/m0/s1
InChIKey: InChIKey=IVUMPSQJAYHIRL-BBJXBSGMSA-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) | 37.9 |
| 2 (CH2) | 30.1 |
| 3 (C) | 176.1 |
| 4 (C) | 145.6 |
| 5 (CH) | 44.3 |
| 6 (CH2) | 27.9 |
| 7 (CH) | 63.7 |
| 8 (C) | 67 |
| 9 (C) | 164.1 |
| 10 (C) | 44.4 |
| 11 (CH) | 130.3 |
| 12 (C) | 203.6 |
| 13 (C) | 60.3 |
| 14 (C) | 53.9 |
| 15 (CH) | 76.9 |
| 16 (CH2) | 40.3 |
| 17 (CH) | 47.1 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 24.1 |
| 20 (C) | 141.8 |
| 21 (CH3) | 19.8 |
| 22 (CH) | 127 |
| 23 (CH) | 75.9 |
| 24 (CH2) | 37.4 |
| 25 (CH) | 35 |
| 26 (CH3) | 16.1 |
| 27 (C) | 179.9 |
| 28 (CH2) | 115.5 |
| 29 (CH3) | 23.8 |
| 30 (CH3) | 21.4 |
