Spektraris NMR
Muoecrystal M
Common Name: Muoecrystal M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H64O16/c1-23(49)59-19-39(5)31(63-25(3)51)11-13-41-21-61-47(57,35(53)33(39)41)45-17-27(7-9-29(41)45)43(37(45)55)15-16-44(43)28-8-10-30-42-14-12-32(64-26(4)52)40(6,20-60-24(2)50)34(42)36(54)48(58,62-22-42)46(30,18-28)38(44)56/h27-36,53-54,57-58H,7-22H2,1-6H3/t27?,28?,29-,30-,31-,32-,33+,34+,35-,36-,39+,40+,41+,42+,43?,44?,45-,46-,47-,48-/m0/s1
InChIKey: InChIKey=GSFOSFPQNGIYSN-MNFPVWSQSA-N
Formula: C48H64O16
Molecular Weight: 897.01401
Exact Mass: 896.419436
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, X.Y., Isogai, A., Furihata, K., Sun, H.D., Suzuki, A. Phytochemistry (1994) 35, 725-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 22.5 |
| 2 (CH2) | 22.5 |
| 3 (CH) | 72.6 |
| 4 (C) | 41.3 |
| 5 (CH) | 57.6 |
| 6 (CH) | 73.1 |
| 7 (C) | 96.3 |
| 8 (C) | 61.6 |
| 9 (CH) | 50.8 |
| 10 (C) | 35.9 |
| 11 (CH2) | 16.1 |
| 12 (CH2) | 21.7 |
| 13 (CH) | 33.5 |
| 14 (CH2) | 27 |
| 15 (C) | 228.4 |
| 16 (C) | 65.3 |
| 17 (CH2) | 25 |
| 18 (CH3) | 21.4 |
| 19 (CH2) | 66.6 |
| 20 (CH2) | 66.5 |
| 1' (CH2) | 22.5 |
| 2' (CH2) | 22.5 |
| 3' (CH) | 72.6 |
| 4' (C) | 41.2 |
| 5' (C) | 57.6 |
| 6' (CH) | 73.1 |
| 7' (C) | 96.3 |
| 8' (C) | 61.6 |
| 9' (CH) | 50.8 |
| 10' (C) | 35.9 |
| 11' (CH2) | 16.1 |
| 12' (CH2) | 21.7 |
| 13' (CH) | 33.5 |
| 14' (CH2) | 27 |
| 15' (C) | 228.4 |
| 16' (C) | 65.3 |
| 17' (CH2) | 25 |
| 18' (CH3) | 21.4 |
| 19' (CH2) | 66.6 |
| 20' (CH2) | 66.5 |
| 3a (C) | 170.8 |
| 3b (CH3) | 20.9 |
| 19a (C) | 170.4 |
| 19b (CH3) | 20.4 |
| 3'a (C) | 170.8 |
| 3'b (CH3) | 20.9 |
| 19'a (C) | 170.4 |
| 19'b (CH3) | 20.4 |
