Spektraris NMR
Tangulic acid diacetate
Common Name: Tangulic acid diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O7/c1-24(2)11-13-29(23(35)36)14-12-27(5)20(30(29,37)16-24)8-7-18-25(3)15-17(31)21(32)28(6,22(33)34)19(25)9-10-26(18,27)4/h8,17-19,21,31-32,37H,7,9-16H2,1-6H3,(H,33,34)(H,35,36)/t17-,18-,19-,21+,25-,26-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=VKIOFFJZPLUAKZ-ICJRJETLSA-N
Formula: C30H46O7
Molecular Weight: 518.683186
Exact Mass: 518.324354
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Dhaveji K., S G.K.A., Narayan S., Rag D.S., Row L.R. Indian J Chem Soc (1984) 61, 1032
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 46.9 |
| 2 (CH) | 71.7 |
| 3 (CH) | 78.2 |
| 4 (C) | 54.5 |
| 5 (CH) | 49 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 32.5 |
| 8 (C) | 38.1 |
| 9 (CH) | 46.1 |
| 10 (C) | 38.9 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 126.5 |
| 13 (C) | 138.6 |
| 14 (C) | 43.9 |
| 15 (CH2) | 25.9 |
| 16 (CH2) | 23.2 |
| 17 (C) | 54.9 |
| 18 (C) | 69.1 |
| 19 (CH2) | 53.3 |
| 20 (C) | 28 |
| 21 (CH2) | 32.5 |
| 22 (CH2) | 28 |
| 23 (C) | 174.4 |
| 24 (CH3) | 25.2 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 26.3 |
| 28 (C) | 178.7 |
| 29 (CH3) | 37.1 |
| 30 (CH3) | 23.7 |
