Spektraris NMR
Bodinoisides B
Common Name: Bodinoisides B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O11/c1-18(19(2)38)22(40)16-36(31(44)45)13-12-34(6)20(15-36)21(39)14-25-33(5)10-9-26(32(3,4)24(33)8-11-35(25,34)7)47-30-29(43)28(42)27(41)23(17-37)46-30/h15,18,21-30,37,39-43H,8-14,16-17H2,1-7H3,(H,44,45)/t18?,21-,22?,23-,24+,25-,26+,27-,28+,29-,30+,33+,34-,35-,36+/m1/s1
InChIKey: InChIKey=WXUNJHWLNXWETA-BJDCTPJFSA-N
Formula: C36H58O11
Molecular Weight: 666.84051
Exact Mass: 666.397913
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) | 39.6 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 88.8 |
| 4 (C) | 39.1 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 34.9 |
| 8 (C) | 43.2 |
| 9 (CH) | 49.6 |
| 10 (C) | 37.3 |
| 11 (CH2) | 33.1 |
| 12 (CH) | 69.1 |
| 13 (C) | 149.9 |
| 14 (C) | 41.5 |
| 15 (CH2) | 27.8 |
| 16 (CH2) | 29.2 |
| 17 (C) | 43.8 |
| 18 (CH) | 116.5 |
| 19 (C) | 209.1 |
| 20 (CH) | 51.9 |
| 21 (CH) | 77.3 |
| 22 (CH2) | 41.7 |
| 23 (CH3) | 16.9 |
| 24 (CH3) | 28.3 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 18.5 |
| 27 (CH3) | 22.1 |
| 28 (C) | 178.6 |
| 29 (CH3) | 11.8 |
| 30 (CH3) | 29.3 |
| 1' (CH) | 107 |
| 2' (CH) | 75.8 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 63.1 |
