Spektraris NMR
Yunyanoside J1
Common Name: Yunyanoside J1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H72O20/c1-19-26(50)27(51)32(56)39(63-19)67-36-31(55)29(53)34(38(59)60)66-41(36)68-35-30(54)28(52)33(37(57)58)65-40(35)64-25-12-13-45(5)22(43(25,2)3)11-14-48(8)23(45)10-9-20-21-17-46(6,42(61)62)24(49)18-44(21,4)15-16-47(20,48)7/h9-10,19,21-22,24-36,39-41,49-56H,11-18H2,1-8H3,(H,57,58)(H,59,60)(H,61,62)/t19-,21+,22+,24+,25+,26-,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,39-,40-,41+,44+,45+,46+,47-,48-/m1/s1
InChIKey: InChIKey=ZHNIGUMWOWDNQD-LPFPTNOPSA-N
Formula: C48H72O20
Molecular Weight: 969.075156
Exact Mass: 968.461695
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) | 37.5 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 89.4 |
| 4 (C) | 39.6 |
| 5 (CH) | 52 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 32.5 |
| 8 (C) | 43.1 |
| 9 (C) | 155.6 |
| 10 (C) | 40.9 |
| 11 (CH) | 116 |
| 12 (CH) | 122.7 |
| 13 (C) | 144.8 |
| 14 (C) | 38.9 |
| 15 (CH2) | 25.9 |
| 16 (CH2) | 28.9 |
| 17 (C) | 34.3 |
| 18 (CH) | 44.2 |
| 19 (CH2) | 42.6 |
| 20 (C) | 50 |
| 21 (CH) | 68.7 |
| 22 (CH2) | 45.2 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 25.5 |
| 26 (CH3) | 21.2 |
| 27 (CH3) | 20.2 |
| 28 (CH3) | 28.9 |
| 29 (C) | 180.4 |
| 30 (CH3) | 13.5 |
| 1' (CH) | 102.3 |
| 2' (CH) | 78.4 |
| 3' (CH) | 78.9 |
| 4' (CH) | 72.6 |
| 5' (CH) | 76.6 |
| 6' (C) | 170.4 |
| 1'' (CH) | 104.7 |
| 2'' (CH) | 78.3 |
| 3'' (CH) | 77.9 |
| 4'' (CH) | 72.7 |
| 5'' (CH) | 76.5 |
| 6'' (C) | 169.9 |
| 1''' (CH) | 101.8 |
| 2''' (CH) | 71.9 |
| 3''' (CH) | 72.3 |
| 4''' (CH) | 74 |
| 5''' (CH) | 69.4 |
| 6''' (CH3) | 18.7 |
