Spektraris NMR
Phlomisoside II
Common Name: Phlomisoside II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O12/c1-16-5-8-21-31(2,3)22(9-11-32(21,4)18(16)7-6-17-10-12-40-15-17)43-30-28(26(38)24(36)20(14-34)42-30)44-29-27(39)25(37)23(35)19(13-33)41-29/h10,12,15,19-30,33-39H,5-9,11,13-14H2,1-4H3/t19-,20-,21+,22+,23-,24-,25+,26+,27-,28-,29+,30+,32-/m1/s1
InChIKey: InChIKey=PKWXQLMEMSFVCA-CEWCVDCNSA-N
Formula: C32H50O12
Molecular Weight: 626.733446
Exact Mass: 626.330227
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Katagiri, M., Ohtani, K., Kasai, R., Yamasaki, K., Yang, C.R., Tanaka, O. Phytochemistry (1994) 35, 439-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 35.3 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 89.3 |
| 4 (C) | 38.7 |
| 5 (CH) | 51.6 |
| 6 (CH2) | 19 |
| 7 (CH2) | 34 |
| 8 (C) | 126.6 |
| 9 (C) | 140 |
| 10 (C) | 39.6 |
| 11 (CH2) | 29 |
| 12 (CH2) | 26.1 |
| 13 (C) | 126.1 |
| 14 (CH) | 111.5 |
| 15 (CH) | 143.3 |
| 16 (CH) | 139.1 |
| 17 (CH3) | 19 |
| 18 (CH3) | 28.4 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 20.1 |
| 1' (CH) | 105.1 |
| 2' (CH) | 83.4 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 106 |
| 2'' (CH) | 77.1 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78 |
| 6'' (CH2) | 62.8 |
