Spektraris NMR
Hiposulfate A
Common Name: Hiposulfate A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O6S/c1-22(10-13-25-20-26(32)14-16-28(25)33)8-6-9-24(21-37-38(34,35)36)12-15-27-23(2)11-17-29-30(3,4)18-7-19-31(27,29)5/h10-11,14,16,20-21,27,29,32-33H,6-9,12-13,15,17-19H2,1-5H3,(H,34,35,36)/b22-10+,24-21-/t27-,29-,31+/m0/s1
InChIKey: InChIKey=YWQLMAVHNHBVCN-NRDRPXJESA-N
Formula: C31H46O6S1
Molecular Weight: 546.760602
Exact Mass: 546.30151
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Musman, M., Ohtani, II, Nagaoka, D., Tanaka, J., Higa, T. J Nat Prod (2001) 64, 350-2
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 (CH2) | 40.3 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 43.5 |
| 4 (C) | 33.7 |
| 5 (CH) | 51.4 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 122.7 |
| 8 (C) | 136.8 |
| 9 (CH) | 56.2 |
| 10 (C) | 37.9 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 30.9 |
| 13 (C) | 126.4 |
| 14 (CH2) | 32.2 |
| 15 (CH2) | 27.3 |
| 16 (CH2) | 40.3 |
| 17 (C) | 136.6 |
| 18 (CH) | 124.1 |
| 19 (CH2) | 29.1 |
| 20 (CH3) | 16.1 |
| 21 (CH) | 134.1 |
| 22 (CH3) | 22.6 |
| 23 (CH3) | 33.8 |
| 24 (CH3) | 22.3 |
| 25 (CH3) | 14 |
| 1' (C) | 130.1 |
| 2' (C) | 148.9 |
| 3' (CH) | 116.5 |
| 4' (CH) | 113.8 |
| 5' (C) | 151 |
| 6' (CH) | 117 |
