Spektraris NMR
Styraxosides B
Common Name: Styraxosides B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H64O13/c1-19-26(43)27(44)30(47)34(51-19)54-32-29(46)28(45)31(33(48)49)53-35(32)52-25-12-13-38(6)22(37(25,4)5)11-14-39(7)23(38)10-9-20-21-17-36(2,3)15-16-41(21,50)24(42)18-40(20,39)8/h9,19,21-23,25-32,34-35,43-47,50H,10-18H2,1-8H3,(H,48,49)/t19-,21-,22-,23+,25-,26-,27+,28-,29-,30+,31-,32+,34-,35+,38-,39+,40+,41+/m0/s1
InChIKey: InChIKey=JNIGWXXLGZBJOT-QFEXQMMCSA-N
Formula: C41H64O13
Molecular Weight: 764.940644
Exact Mass: 764.434692
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Min, B.S., Oh, S.R., Ahn, K.S., Kim, J.H., Lee, J., Kim, D.Y., Kim, E.H., Lee, H.K. Planta Med (2004) 70, 1210-5
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) | 38.7 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 88.9 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40.1 |
| 9 (CH) | 46.9 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 123.3 |
| 13 (C) | 142.6 |
| 14 (C) | 48.3 |
| 15 (CH2) | 43.4 |
| 16 (C) | 215.3 |
| 17 (C) | 76.4 |
| 18 (CH) | 52.8 |
| 19 (CH2) | 48.1 |
| 20 (C) | 31 |
| 21 (CH2) | 37.2 |
| 22 (CH2) | 31.6 |
| 23 (CH3) | 28 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 27.2 |
| 29 (CH3) | 32.7 |
| 30 (CH3) | 23.6 |
| 1' (CH) | 105.6 |
| 2' (CH) | 77.4 |
| 3' (CH) | 79.3 |
| 4' (CH) | 73.7 |
| 5' (CH) | 77.6 |
| 6' (C) | 172.6 |
| 1'' (CH) | 101.8 |
| 2'' (CH) | 72.4 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 73.7 |
| 5'' (CH) | 69.7 |
| 6'' (CH3) | 18.7 |
