Spektraris NMR
Leucasperoside B
Common Name: Leucasperoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O12/c1-6-31(4)9-7-16-15(12-31)17(35)11-20-30(2,3)21(8-10-32(16,20)5)43-29-27(25(39)23(37)19(14-34)42-29)44-28-26(40)24(38)22(36)18(13-33)41-28/h6,12,16,18-29,33-34,36-40H,1,7-11,13-14H2,2-5H3/t16-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,28-,29-,31-,32+/m0/s1
InChIKey: InChIKey=JPLVFJHIDXDOIR-UVDPIALLSA-N
Formula: C32H50O12
Molecular Weight: 626.733446
Exact Mass: 626.330227
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Sadhu, S.K., Okuyama, E., Fujimoto, H., Ishibashi, M. J Nat Prod (2006) 69, 988-94
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 36.1 |
| 2 (CH2) | 25.7 |
| 3 (CH) | 87.7 |
| 4 (C) | 38.5 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 36.4 |
| 7 (C) | 199 |
| 8 (C) | 135.1 |
| 9 (CH) | 49.7 |
| 10 (C) | 35 |
| 11 (CH2) | 18.5 |
| 12 (CH2) | 33.2 |
| 13 (C) | 38.1 |
| 14 (CH) | 142.4 |
| 15 (CH) | 146.5 |
| 16 (CH2) | 111.7 |
| 17 (CH3) | 25.6 |
| 18 (CH3) | 26.7 |
| 19 (CH3) | 15 |
| 20 (CH3) | 13.4 |
| 1' (CH) | 103.5 |
| 2' (CH) | 81.3 |
| 3' (CH) | 76.5 |
| 4' (CH) | 69.9 |
| 5' (CH) | 76.4 |
| 6' (CH2) | 60.9 |
| 1'' (CH) | 103.9 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 76.1 |
| 4'' (CH) | 69.9 |
| 5'' (CH) | 76.8 |
| 6'' (CH2) | 61 |
