Spektraris NMR
18-b-D-3',6'-diacetoxyglucopyrano-syl-ent-kaur-16-ene
Common Name: 18-b-D-3',6'-diacetoxyglucopyrano-syl-ent-kaur-16-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O9/c1-16-13-30-12-9-21-28(4,22(30)8-7-19(16)14-30)10-6-11-29(21,5)27(35)39-26-24(34)25(37-18(3)32)23(33)20(38-26)15-36-17(2)31/h19-26,33-34H,1,6-15H2,2-5H3/t19-,20-,21+,22+,23-,24-,25+,26+,28-,29-,30-/m1/s1
InChIKey: InChIKey=ZHDNSDPHIQWJNS-YXUKRDCVSA-N
Formula: C30H44O9
Molecular Weight: 548.666114
Exact Mass: 548.298533
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, X.T., Shi, Y., Yu, B., Williams, I.D., Sung, H.H., Zhang, Q., Liang, J.Y., Ip, N.Y., Min, Z.D. Planta Med (2007) 73, 84-90
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) | 40.7 |
| 2 (CH2) | 19 |
| 3 (CH2) | 38.1 |
| 4 (C) | 44.2 |
| 5 (CH) | 57.3 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 41.4 |
| 8 (C) | 44.2 |
| 9 (CH) | 55.1 |
| 10 (C) | 39.6 |
| 11 (CH2) | 18.4 |
| 12 (CH2) | 33 |
| 13 (CH) | 43.8 |
| 14 (CH2) | 39.7 |
| 15 (CH2) | 48.9 |
| 16 (C) | 155.9 |
| 17 (CH2) | 102.9 |
| 18 (C) | 176.3 |
| 19 (CH3) | 28.6 |
| 20 (CH3) | 15.6 |
| 1' (CH) | 93.8 |
| 2' (CH) | 71.4 |
| 3' (CH) | 78.6 |
| 4' (CH) | 68.7 |
| 5' (CH) | 74.7 |
| 6' (CH2) | 62.9 |
| 3'a (C) | 172.7 |
| 3'b (CH3) | 21.8 |
| 6'a (C) | 171.7 |
| 6'b (CH3) | 20.8 |
