Spektraris NMR
6b-Hydroxyarjunic acid
Common Name: 6b-Hydroxyarjunic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-25(2)10-12-30(24(35)36)13-11-28(6)16(20(30)23(25)34)8-9-19-27(5)14-18(32)22(33)26(3,4)21(27)17(31)15-29(19,28)7/h8,17-23,31-34H,9-15H2,1-7H3,(H,35,36)/t17-,18-,19-,20-,21+,22+,23+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=LYKPBOGDPDYKJM-MRRMTVBYSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Adnyana, I.K., Tezuka, Y., Banskota, A.H., Tran, K.Q., Kadota, S. Phytochemistry (2001) 64, 360-3
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) | 49.8 |
| 2 (CH) | 68.8 |
| 3 (CH) | 84.2 |
| 4 (C) | 40.8 |
| 5 (CH) | 56.9 |
| 6 (CH) | 67.9 |
| 7 (CH2) | 41.8 |
| 8 (C) | 39.6 |
| 9 (CH) | 49.1 |
| 10 (C) | 38.6 |
| 11 (CH2) | 24.3 |
| 12 (CH) | 123.3 |
| 13 (C) | 144.3 |
| 14 (C) | 42.7 |
| 15 (CH2) | 29.1 |
| 16 (CH2) | 28.4 |
| 17 (C) | 46.1 |
| 18 (CH) | 44.9 |
| 19 (CH) | 81.3 |
| 20 (C) | 35.8 |
| 21 (CH2) | 29.3 |
| 22 (CH2) | 33.7 |
| 23 (CH3) | 29.1 |
| 24 (CH3) | 19.2 |
| 25 (CH3) | 18.4 |
| 26 (CH3) | 24.9 |
| 27 (CH3) | 18.3 |
| 28 (C) | 180.8 |
| 29 (CH3) | 28.9 |
| 30 (CH3) | 24.9 |
