Spektraris NMR
Styraxosides A
Common Name: Styraxosides A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O13/c1-31(2)20-11-21(38)34(5)19(9-8-15-7-6-10-33(15,34)4)32(20,3)12-16(37)28(31)47-30-27(25(42)23(40)18(14-36)45-30)46-29-26(43)24(41)22(39)17(13-35)44-29/h6-7,15,17-30,35-36,38-43H,8-14H2,1-5H3/t15-,17+,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,28-,29-,30-,32+,33+,34-/m0/s1
InChIKey: InChIKey=RUOVHYJBVMXYCD-VKVYAXSWSA-N
Formula: C34H54O13
Molecular Weight: 670.786085
Exact Mass: 670.356442
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 : Dammaranes; 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) | 51.6 |
| 2 (C) | 207.8 |
| 3 (CH) | 83.2 |
| 4 (C) | 45 |
| 5 (CH) | 44.4 |
| 6 (CH2) | 30.7 |
| 7 (CH) | 69.2 |
| 8 (C) | 45.1 |
| 9 (CH) | 47.5 |
| 10 (C) | 41.7 |
| 11 (CH2) | 24.3 |
| 12 (CH2) | 23.9 |
| 13 (CH) | 48.3 |
| 14 (C) | 53.6 |
| 15 (CH2) | 42.9 |
| 16 (CH) | 133.7 |
| 17 (CH) | 130.8 |
| 18 (CH3) | 15.1 |
| 19 (CH3) | 25.2 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 17.1 |
| 30 (CH3) | 17.7 |
| 1' (CH) | 104.8 |
| 2' (CH) | 83.2 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.4 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.6 |
| 1'' (CH) | 105.9 |
| 2'' (CH) | 77.1 |
| 3'' (CH) | 77.9 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 62.6 |
