Spektraris NMR
tabularisins D
Common Name: tabularisins D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H44O17/c1-15(2)25(43)51-35-27(49-17(4)39)29(5)13-34(35,45)30(6,19(29)11-20(40)46-8)36-21(41)24(48-16(3)38)32-14-33(32,37(36)28(35)52-31(7,53-36)54-37)22(42)26(44)50-23(32)18-9-10-47-12-18/h9-10,12,15,19,21-24,27-28,41-42,45H,11,13-14H2,1-8H3/t19-,21+,22-,23-,24-,27-,28+,29-,30+,31?,32+,33+,34+,35-,36-,37-/m0/s1
InChIKey: InChIKey=JLSMPHIRZVGAOG-VZZDKWISSA-N
Formula: C37H44O17
Molecular Weight: 760.736505
Exact Mass: 760.25785
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fan, C.Q., Wang, X.N., Yin, S., Zhang, C.R., Wang, F.D., Yue, J.M. Tetrahedron (2007) 63, 6741-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) | 84.6 |
| 2 (C) | 83.5 |
| 3 (CH) | 86 |
| 4 (C) | 44.4 |
| 5 (CH) | 38.7 |
| 6 (CH2) | 33.5 |
| 7 (C) | 174 |
| 8 (C) | 87.6 |
| 9 (C) | 84.4 |
| 10 (C) | 48.4 |
| 11 (CH) | 67.6 |
| 12 (CH) | 68.4 |
| 13 (C) | 29.6 |
| 14 (C) | 27 |
| 15 (CH) | 67.6 |
| 16 (C) | 172.2 |
| 17 (CH) | 72.2 |
| 18 (CH2) | 16.9 |
| 19 (CH3) | 16.5 |
| 20 (C) | 122.4 |
| 21 (CH) | 141.8 |
| 22 (CH) | 109.8 |
| 23 (CH) | 143.3 |
| 28 (CH3) | 14.3 |
| 29 (CH2) | 39.8 |
| 30 (CH) | 77.3 |
| 2a (C) | 176.3 |
| 2b (CH) | 34.3 |
| 2c (CH3) | 18.7 |
| 2ba (CH3) | 18.5 |
| 3a (C) | 168.2 |
| 3b (CH3) | 20.9 |
| 7a (CH3) | 52.3 |
| 8a (C) | 116.4 |
| 8b (CH3) | 15.7 |
| 12a (C) | 170.9 |
| 12b (CH3) | 19.7 |
