Spektraris NMR
Halisulfate 8
Common Name: Halisulfate 8
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O6S/c1-18-8-9-22-23(14-21(26)15-24(22,2)3)25(18,4)12-10-19(17-31-32(27,28)29)6-5-7-20-11-13-30-16-20/h11,13-14,16,18-19,22H,5-10,12,15,17H2,1-4H3,(H,27,28,29)/t18-,19?,22-,25-/m0/s1
InChIKey: InChIKey=HXZXVJCOLAWFQO-AFNDSEIKSA-N
Formula: C25H38O6S1
Molecular Weight: 466.63266
Exact Mass: 466.23891
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Makarieva, T.N., Rho, J.R., Lee, H.S., Santalova, E.A., Stonik, V., Shin, J. J Nat Prod (2003) 66, 1010-2
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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) | 122 |
| 2 (C) | 203.3 |
| 3 (CH2) | 48 |
| 4 (C) | 35.4 |
| 5 (CH) | 46.6 |
| 6 (CH2) | 31.1 |
| 7 (CH2) | 31.5 |
| 8 (CH) | 47.8 |
| 9 (C) | 46.2 |
| 10 (C) | 178.3 |
| 11 (CH2) | 29.9 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 39.7 |
| 14 (CH2) | 32.3 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 25.8 |
| 17 (C) | 126.3 |
| 18 (CH) | 111.9 |
| 19 (CH) | 143.9 |
| 20 (CH3) | 28.5 |
| 21 (CH3) | 27.6 |
| 22 (CH3) | 16.4 |
| 23 (CH3) | 23.3 |
| 24 (CH2) | 70.7 |
| 25 (CH) | 140.1 |
