Spektraris NMR
Hipposulfate B
Common Name: Hipposulfate B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O7S/c1-21-8-16-29-30(3,4)17-6-18-31(29,5)26(21)13-9-23(20-38-39(35,36)37)10-14-27(33)22(2)7-11-24-19-25(32)12-15-28(24)34/h7-8,12,15,19-20,26-27,29,32-34H,6,9-11,13-14,16-18H2,1-5H3,(H,35,36,37)/b22-7+,23-20+/t26-,27?,29-,31+/m0/s1
InChIKey: InChIKey=WXHXYFQDYWLRMT-VDDWEQCZSA-N
Formula: C31H46O7S1
Molecular Weight: 562.760007
Exact Mass: 562.296425
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) | 33.9 |
| 5 (CH) | 51.5 |
| 6 (CH2) | 24.9 |
| 7 (CH) | 122.6 |
| 8 (C) | 136.9 |
| 9 (CH) | 56.2 |
| 10 (C) | 37.9 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 30.9 |
| 13 (C) | 126.1 |
| 14 (CH2) | 29.1 |
| 15 (CH2) | 34.3 |
| 16 (CH) | 78.1 |
| 17 (C) | 138.5 |
| 18 (CH) | 126.1 |
| 19 (CH2) | 29.1 |
| 20 (CH3) | 11.4 |
| 21 (CH) | 134.3 |
| 22 (CH3) | 22.7 |
| 23 (CH3) | 33.7 |
| 24 (CH3) | 22.3 |
| 25 (CH3) | 14 |
| 1' (C) | 129.9 |
| 2' (C) | 149 |
| 3' (CH) | 116.6 |
| 4' (CH) | 114.1 |
| 5' (C) | 151.2 |
| 6' (CH) | 117.3 |
