Spektraris NMR
Glabcensin W
Common Name: Glabcensin W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O9/c1-13-18-11-19(34-14(2)29)22-27(8)10-9-20(35-15(3)30)26(6,7)23(27)21(36-16(4)31)25(37-17(5)32)28(22,12-18)24(13)33/h18-23,25H,1,9-12H2,2-8H3/t18-,19+,20+,21-,22+,23-,25+,27+,28+/m1/s1
InChIKey: InChIKey=ZKBSGYHEBWMFOE-QOCFDZAGSA-N
Formula: C28H38O9
Molecular Weight: 518.596998
Exact Mass: 518.251583
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, Q.S., Lin, Z.W., Jiang, B., Wang, J., Sun, H.D. Phytochemistry (1999) 50, 123-6
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) | 36.2 |
| 2 (CH2) | 22.8 |
| 3 (CH) | 78.2 |
| 4 (C) | 36.8 |
| 5 (CH) | 43.7 |
| 6 (CH) | 70 |
| 7 (CH) | 71.3 |
| 8 (C) | 48.6 |
| 9 (CH) | 55.8 |
| 10 (C) | 38.6 |
| 11 (CH) | 68.1 |
| 12 (CH2) | 38.3 |
| 13 (CH) | 37.1 |
| 14 (CH2) | 34.3 |
| 15 (C) | 204.6 |
| 16 (C) | 150.4 |
| 17 (CH2) | 113 |
| 18 (CH3) | 28.1 |
| 19 (CH3) | 23.4 |
| 20 (CH3) | 19.3 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.8 |
| 6a (C) | 169.6 |
| 6b (CH3) | 21.8 |
| 7a (C) | 169.4 |
| 7b (CH3) | 21.2 |
| 11a (C) | 169 |
| 11b (CH3) | 20.9 |
