Spektraris NMR
Halisulfate 9
Common Name: Halisulfate 9
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O6S/c1-18-10-11-21-22(9-6-13-24(21,2)3)25(18,4)14-12-19(17-31-32(27,28)29)7-5-8-20-15-23(26)30-16-20/h9,15,18-19,21H,5-8,10-14,16-17H2,1-4H3,(H,27,28,29)/t18-,19?,21-,25-/m0/s1
InChIKey: InChIKey=NFFYCHHMRWODEA-KYQCUNBSSA-N
Formula: C25H40O6S1
Molecular Weight: 468.648542
Exact Mass: 468.25456
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) | 117.9 |
| 2 (CH2) | 24.3 |
| 3 (CH2) | 32.4 |
| 4 (C) | 32.3 |
| 5 (CH) | 44.8 |
| 6 (CH2) | 31.4 |
| 7 (CH2) | 32.5 |
| 8 (CH) | 46.2 |
| 9 (C) | 43.7 |
| 10 (C) | 148 |
| 11 (CH2) | 29.2 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 39.7 |
| 14 (CH2) | 32.2 |
| 15 (CH2) | 25.4 |
| 16 (CH2) | 29.7 |
| 17 (C) | 174.6 |
| 18 (CH) | 115.4 |
| 19 (C) | 177.2 |
| 20 (CH3) | 28.4 |
| 21 (CH3) | 28.1 |
| 22 (CH3) | 16.8 |
| 23 (CH3) | 23.8 |
| 24 (CH2) | 71.3 |
| 25 (CH2) | 75 |
