Spektraris NMR
Bodinoisides A
Common Name: Bodinoisides A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O12/c1-17(18(2)38)21(40)15-36(31(45)46)11-10-34(6)19(13-36)20(39)12-25-33(5)14-22(41)29(32(3,4)24(33)8-9-35(25,34)7)48-30-28(44)27(43)26(42)23(16-37)47-30/h13,17,20-30,37,39-44H,8-12,14-16H2,1-7H3,(H,45,46)/t17?,20-,21?,22-,23-,24+,25-,26-,27+,28-,29+,30+,33+,34-,35-,36+/m1/s1
InChIKey: InChIKey=GDGOHQANLRANAK-ABBFRHSGSA-N
Formula: C36H58O12
Molecular Weight: 682.839915
Exact Mass: 682.392827
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, R.T., Li, J.T., Wang, J.K., Han, Q.B., Zhu, Z.Y., Sun, H.D. Helv Chim Acta (2005) 88, 252-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 47.6 |
| 2 (CH) | 66.8 |
| 3 (CH) | 95.5 |
| 4 (C) | 40.8 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 14.8 |
| 8 (C) | 43.2 |
| 9 (CH) | 49.5 |
| 10 (C) | 38.2 |
| 11 (CH2) | 33.2 |
| 12 (CH) | 68.9 |
| 13 (C) | 149.7 |
| 14 (C) | 41.5 |
| 15 (CH2) | 27.7 |
| 16 (CH2) | 29.1 |
| 17 (C) | 43.8 |
| 18 (CH) | 116.6 |
| 19 (C) | 209.1 |
| 20 (CH) | 51.9 |
| 21 (CH) | 77.3 |
| 22 (CH2) | 41.6 |
| 23 (CH3) | 18.1 |
| 24 (CH3) | 28.6 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 18.5 |
| 27 (CH3) | 22 |
| 28 (C) | 178.6 |
| 29 (CH3) | 11.8 |
| 30 (CH3) | 29.3 |
| 1' (CH) | 106.6 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 62.6 |
