Spektraris NMR
30-Hydroxy-2,3-seco-lup-20(29)-ene-2,3-dioic acid
Common Name: 30-Hydroxy-2,3-seco-lup-20(29)-ene-2,3-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-18(17-31)19-10-12-27(4)14-15-29(6)20(24(19)27)8-9-22-28(5,16-23(32)33)21(11-13-30(22,29)7)26(2,3)25(34)35/h19-22,24,31H,1,8-17H2,2-7H3,(H,32,33)(H,34,35)/t19-,20+,21-,22+,24+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=XVLZBLIJCJDTKJ-ADGLXWGESA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Di, Y.T., He, H.P., Liu, H.Y., Yi, P., Zhang, Z., Ren, Y.L., Wang, J.S., Sun, Q.Y., Yang, F.M., Fang, X., Li, S.L., Zhu, H.J., Hao, X.J. J Nat Prod (2005) 68, 1352-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 42.6 |
| 2 (C) | 174.4 |
| 3 (C) | 182.4 |
| 4 (C) | 46.9 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 21.6 |
| 7 (CH2) | 33.8 |
| 8 (C) | 41.1 |
| 9 (CH) | 42 |
| 10 (C) | 42.3 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 27.3 |
| 13 (CH) | 38.6 |
| 14 (C) | 43.5 |
| 15 (CH2) | 27.9 |
| 16 (CH2) | 35.6 |
| 17 (C) | 43.2 |
| 18 (CH) | 48.9 |
| 19 (CH) | 43.8 |
| 20 (C) | 156.5 |
| 21 (CH2) | 32.2 |
| 22 (CH2) | 40 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 24.8 |
| 25 (CH3) | 20.4 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 15 |
| 28 (CH3) | 17.9 |
| 29 (CH2) | 105.9 |
| 30 (CH2) | 64.3 |
