Spektraris NMR
Glabcensin A
Common Name: Glabcensin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O10/c1-12-17-9-19(35-13(2)29)21-27(8)11-18(33)24(37-15(4)31)26(6,7)22(27)20(36-14(3)30)25(38-16(5)32)28(21,10-17)23(12)34/h17-22,24-25,33H,1,9-11H2,2-8H3/t17-,18+,19+,20-,21+,22-,24+,25+,27+,28+/m1/s1
InChIKey: InChIKey=RCBBSWXFYDRQED-VNVGTTLISA-N
Formula: C28H38O10
Molecular Weight: 534.596403
Exact Mass: 534.246497
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, Q.S., Tian, J., Yue, J.M., Lin, Z.W., Sun, H.D. J Nat Prod (1997) 60, 1075-81
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) | 45.14 |
| 2 (CH) | 63.61 |
| 3 (CH) | 81.25 |
| 4 (C) | 38.44 |
| 5 (CH) | 43.44 |
| 6 (CH) | 69.98 |
| 7 (CH) | 71.41 |
| 8 (C) | 49.7 |
| 9 (CH) | 55.78 |
| 10 (C) | 39.7 |
| 11 (CH) | 68.35 |
| 12 (CH2) | 38.13 |
| 13 (CH) | 36.75 |
| 14 (CH2) | 35.12 |
| 15 (C) | 204.62 |
| 16 (C) | 149.62 |
| 17 (CH2) | 113.17 |
| 18 (CH3) | 28.28 |
| 19 (CH3) | 23.57 |
| 20 (CH3) | 20.66 |
| 3a (C) | 170.84 |
| 3b (CH3) | 21.21 |
| 6a (C) | 169.64 |
| 6b (CH3) | 21.21 |
| 7a (C) | 169.48 |
| 7b (CH3) | 21.01 |
| 11a (C) | 169.06 |
| 11b (CH3) | 21.01 |
