Spektraris NMR
3b-Hydroxybauer-7-en-28-oic acid
Common Name: 3b-Hydroxybauer-7-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-18-10-15-30(25(32)33)17-16-28(6)21-8-9-22-26(3,4)23(31)12-13-27(22,5)20(21)11-14-29(28,7)24(30)19(18)2/h18-24,31H,8-17H2,1-7H3,(H,32,33)/t18-,19+,20+,21+,22+,23+,24+,27-,28-,29+,30+/m1/s1
InChIKey: InChIKey=VTYDRYTVWSLGOB-NSJHVHJFSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
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 (CH2) | 36.3 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 76.8 |
| 4 (C) | 38.4 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 23.7 |
| 7 (CH2) | 116.4 |
| 8 (CH) | 144.2 |
| 9 (CH) | 47.2 |
| 10 (C) | 34.7 |
| 11 (CH2) | 27.6 |
| 12 (CH2) | 32 |
| 13 (C) | 36.6 |
| 14 (C) | 40.5 |
| 15 (CH2) | 15.8 |
| 16 (CH2) | 32 |
| 17 (C) | 43.7 |
| 18 (CH) | 47.5 |
| 19 (CH) | 31.6 |
| 20 (CH) | 36.1 |
| 21 (CH2) | 28.7 |
| 22 (CH2) | 25.5 |
| 23 (CH3) | 14.9 |
| 24 (CH3) | 27.6 |
| 25 (CH3) | 12.6 |
| 26 (CH3) | 23.1 |
| 27 (CH3) | 21.3 |
| 28 (C) | 181.4 |
| 29 (CH3) | 21.1 |
| 30 (CH3) | 23.2 |
