Spektraris NMR
Gentirigeoside D
Common Name: Gentirigeoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H60O13/c1-31-11-10-24(48-29-27(43)26(42)25(41)21(15-37)47-29)32(2,16-38)22(31)9-13-34(4)23(31)7-6-18-19(8-12-33(18,34)3)36(30(45)46)14-20(40)28(44)35(5,17-39)49-36/h18-29,37-44H,6-17H2,1-5H3,(H,45,46)/t18-,19+,20+,21-,22-,23-,24+,25-,26+,27-,28+,29+,31+,32-,33-,34-,35+,36+/m1/s1
InChIKey: InChIKey=KLVZORPHMPDCPQ-QFINJNEBSA-N
Formula: C36H60O13
Molecular Weight: 700.855202
Exact Mass: 700.403392
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xu, M., Wang, D., Zhang, Y.J., Yang, C.R. J Nat Prod (2007) 70, 880-3
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 40.7 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 89.2 |
| 4 (C) | 44.6 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 36.9 |
| 8 (C) | 40.1 |
| 9 (CH) | 51.2 |
| 10 (C) | 37.4 |
| 11 (CH2) | 28.8 |
| 12 (CH2) | 22.2 |
| 13 (CH) | 44.9 |
| 14 (C) | 50.3 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 26.1 |
| 17 (CH) | 45.9 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 16.3 |
| 20 (C) | 81.4 |
| 21 (C) | 178.8 |
| 22 (CH2) | 33.2 |
| 23 (CH) | 75.7 |
| 24 (CH) | 80.2 |
| 25 (C) | 72.1 |
| 26 (CH3) | 23.4 |
| 27 (CH2) | 69 |
| 28 (CH3) | 21.8 |
| 29 (CH2) | 63.4 |
| 30 (CH3) | 15.6 |
| 1' (CH) | 106.3 |
| 2' (CH) | 74.6 |
| 3' (CH) | 78.8 |
| 4' (CH) | 72.1 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 63.1 |
