Spektraris NMR
156980-47-1
Common Name: 156980-47-1
Synonyms: 156980-47-1
CAS Registry Number:
InChI: InChI=1S/C42H64O15/c1-37(2)21-10-13-42(7)22(9-8-19-20-16-39(4,18-43)23(44)17-38(20,3)14-15-41(19,42)6)40(21,5)12-11-24(37)54-36-32(28(48)27(47)31(56-36)34(52)53)57-35-29(49)25(45)26(46)30(55-35)33(50)51/h8-9,20-21,23-32,35-36,43-49H,10-18H2,1-7H3,(H,50,51)(H,52,53)/t20-,21-,23+,24-,25-,26-,27-,28-,29+,30-,31-,32+,35-,36+,38-,39+,40-,41+,42+/m0/s1
InChIKey: InChIKey=DCBSFXHHRWZSNC-OIRUNSKWSA-N
Formula: C42H64O15
Molecular Weight: 808.95019
Exact Mass: 808.424521
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ohtani, K., Kasai, R., Yang, C.R., Yamasaki, K., Zhou, J., Tanaka, O. Phytochemistry (1994) 36, 139-45
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 37.6 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 89.6 |
| 4 (C) | 39.7 |
| 5 (CH) | 52 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 32.5 |
| 8 (C) | 43.1 |
| 9 (C) | 155.2 |
| 10 (C) | 41.1 |
| 11 (CH) | 116 |
| 12 (CH) | 121.6 |
| 13 (C) | 147.2 |
| 14 (C) | 38.9 |
| 15 (CH2) | 26.1 |
| 16 (CH2) | 31.2 |
| 17 (C) | 33.1 |
| 18 (CH) | 44.5 |
| 19 (CH2) | 38 |
| 20 (C) | 40.1 |
| 21 (CH) | 71 |
| 22 (CH2) | 45.2 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 25.4 |
| 26 (CH3) | 21.2 |
| 27 (CH3) | 19.9 |
| 28 (CH3) | 29.1 |
| 29 (CH2) | 73.3 |
| 30 (CH3) | 20.7 |
| 1' (CH) | 104.8 |
| 2' (CH) | 83.4 |
| 3' (CH) | 77.4 |
| 4' (CH) | 72.5 |
| 5' (CH) | 76.4 |
| 6' (C) | 170.4 |
| 1'' (CH) | 106.3 |
| 2'' (CH) | 76.4 |
| 3'' (CH) | 77.7 |
| 4'' (CH) | 72.7 |
| 5'' (CH) | 77.2 |
| 6'' (C) | 170.1 |
