Spektraris NMR
1a,3b-Dihydroxybauer-7-en-28-oic acid
Common Name: 1a,3b-Dihydroxybauer-7-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-17-10-13-30(25(33)34)15-14-27(5)19-8-9-21-26(3,4)22(31)16-23(32)29(21,7)20(19)11-12-28(27,6)24(30)18(17)2/h17-24,31-32H,8-16H2,1-7H3,(H,33,34)/t17-,18+,19+,20+,21+,22+,23+,24+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=LQWWPCRVQIDPQB-OUNJDNBTSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Fokou, P.A., Stammler, H.G., Neumann, B., Huber, T., Lontsi, D., Wangun, H.V., Sewald, N. J Nat Prod (2004) 67, 2124-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Baueranes; 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 (CH) | 70.4 |
| 2 (CH2) | 35 |
| 3 (CH) | 70.8 |
| 4 (C) | 38.6 |
| 5 (CH) | 43.2 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 115.3 |
| 8 (CH) | 144.9 |
| 9 (CH) | 43.2 |
| 10 (C) | 38.5 |
| 11 (CH2) | 27.8 |
| 12 (CH2) | 32.1 |
| 13 (C) | 36.6 |
| 14 (C) | 40.6 |
| 15 (CH2) | 15 |
| 16 (CH2) | 32.1 |
| 17 (C) | 43.7 |
| 18 (CH) | 47.6 |
| 19 (CH) | 31.6 |
| 20 (CH) | 36.2 |
| 21 (CH2) | 28.8 |
| 22 (CH2) | 25.5 |
| 23 (CH3) | 14.8 |
| 24 (CH3) | 27.8 |
| 25 (CH3) | 13.1 |
| 26 (CH3) | 23.1 |
| 27 (CH3) | 21.2 |
| 28 (C) | 181.5 |
| 29 (CH3) | 21.1 |
| 30 (CH3) | 23.3 |
