Spektraris NMR
(1R*, 2R*, 3E, 7E, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-18-O-Acetyldolabella-3,7-dien-2,16,18-triol
Common Name: (1R*, 2R*, 3E, 7E, 11R*, 12S*)-16-O-(3-hydroxy-3-methylglutaryl)-18-O-Acetyldolabella-3,7-dien-2,16,18-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-15-7-6-8-17(14-23)13-20(25)22(5)12-11-18(19(22)10-9-15)21(3,4)26-16(2)24/h7,13,18-20,23,25H,6,8-12,14H2,1-5H3/b15-7+,17-13-/t18-,19+,20+,22+/m1/s1
InChIKey: InChIKey=AEHHCKMPCAUFTH-JDZVCYJSSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mohamed, K.M., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (1995) 39, 151-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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) | 50.4 |
| 2 (CH) | 71.6 |
| 3 (CH) | 129.9 |
| 4 (C) | 139.5 |
| 5 (CH2) | 34.6 |
| 6 (CH2) | 24.6 |
| 7 (CH) | 126.4 |
| 8 (C) | 135.7 |
| 9 (CH2) | 37.8 |
| 10 (CH2) | 31.8 |
| 11 (CH) | 41.2 |
| 12 (CH) | 59.8 |
| 13 (CH2) | 26.3 |
| 14 (CH2) | 37.2 |
| 15 (CH3) | 17 |
| 16 (CH2) | 58.5 |
| 17 (CH3) | 16.7 |
| 18 (C) | 85.1 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 26.1 |
| 18a (C) | 170.5 |
| 18b (CH3) | 22.8 |
