Spektraris NMR
Phlomisoside I
Common Name: Phlomisoside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O11/c1-16-6-9-21-31(3,4)22(10-12-32(21,5)19(16)8-7-18-11-13-39-15-18)42-30-28(26(37)24(35)20(14-33)41-30)43-29-27(38)25(36)23(34)17(2)40-29/h11,13,15,17,20-30,33-38H,6-10,12,14H2,1-5H3/t17-,20-,21+,22+,23-,24-,25+,26+,27+,28-,29+,30+,32-/m1/s1
InChIKey: InChIKey=FAASKPMBDMDYGK-FVZLWGHBSA-N
Formula: C32H50O11
Molecular Weight: 610.734041
Exact Mass: 610.335312
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) | 35.5 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 89 |
| 4 (C) | 38.7 |
| 5 (CH) | 51.7 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 34 |
| 8 (C) | 126.6 |
| 9 (C) | 140 |
| 10 (C) | 39.5 |
| 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) | 19.5 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 17.1 |
| 20 (CH3) | 20.3 |
| 1' (CH) | 105.4 |
| 2' (CH) | 79.9 |
| 3' (CH) | 77.7 |
| 4' (CH) | 72.5 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.7 |
| 1'' (CH) | 101.8 |
| 2'' (CH) | 72 |
| 3'' (CH) | 72.4 |
| 4'' (CH) | 74.1 |
| 5'' (CH) | 69.6 |
| 6'' (CH3) | 18.7 |
