Spektraris NMR
11-Gorgiacerol
Common Name: 11-Gorgiacerol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O6/c1-10(2)12-6-15(22)13-8-18(27-21(13)24)19(11(3)4)17-9-14(20(23)25-5)16(7-12)26-17/h8-9,12,15,18-19,22H,1,3,6-7H2,2,4-5H3/t12-,15-,18+,19+/m1/s1
InChIKey: InChIKey=MNRPADZXFBZZNX-GEAQGZNASA-N
Formula: C21H24O6
Molecular Weight: 372.412461
Exact Mass: 372.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tinto, W.F., Laydoo, R.S., Miller, S.L., Reynolds, W.F., McLean, S. J Nat Prod (1995) 58, 1975-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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 (CH) | 38.38 |
| 2 (CH2) | 31.13 |
| 3 (C) | 161.25 |
| 4 (C) | 115.73 |
| 5 (CH) | 110 |
| 6 (C) | 150.32 |
| 7 (CH) | 48.54 |
| 8 (CH) | 81.18 |
| 9 (CH) | 146.54 |
| 10 (C) | 140.56 |
| 11 (CH) | 65.42 |
| 12 (CH2) | 43.73 |
| 13 (C) | 146.81 |
| 14 (CH2) | 111.82 |
| 15 (CH3) | 19.16 |
| 16 (C) | 163.93 |
| 17 (C) | 141.05 |
| 18 (CH2) | 115.1 |
| 19 (CH3) | 21.59 |
| 20 (C) | 174.14 |
| 16a (CH3) | 51.42 |
