Spektraris NMR
Capisterone B
Common Name: Capisterone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O7S/c1-19(2)14-21(32)15-20(3)22-8-10-27(5)23-6-7-24-28(17-31,18-37-38(34,35)36)25(33)9-11-29(24)16-30(23,29)13-12-26(22,27)4/h19-20,22-24,31H,6-18H2,1-5H3,(H,34,35,36)/p-1/t20-,22+,23-,24+,26-,27+,28+,29-,30+/m1/s1
InChIKey: InChIKey=CCRYNKGKKAVQTA-MGWHSODLSA-M
Formula: C30H48O7S1
Molecular Weight: 552.765152
Exact Mass: 552.312075
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Puglisi, M.P., Tan, L.T., Jensen, P.R., Fenical, W. Tetrahedron (2004) 60, 7035-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32 |
| 2 (CH2) | 38.1 |
| 3 (C) | 209.5 |
| 4 (C) | 58.6 |
| 5 (CH) | 42.9 |
| 6 (CH2) | 21 |
| 7 (CH2) | 25.9 |
| 8 (CH) | 47.1 |
| 9 (C) | 21 |
| 10 (C) | 25 |
| 11 (CH2) | 25.9 |
| 12 (CH2) | 32.4 |
| 13 (C) | 44.8 |
| 14 (C) | 48.3 |
| 15 (CH2) | 35 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 17.9 |
| 19 (CH2) | 29.4 |
| 20 (CH) | 32 |
| 21 (CH3) | 19.1 |
| 22 (CH2) | 49.7 |
| 23 (C) | 209.8 |
| 24 (CH2) | 51.4 |
| 25 (CH) | 23.8 |
| 26 (CH3) | 22.2 |
| 27 (CH3) | 22.4 |
| 28 (CH2) | 64.9 |
| 29 (CH2) | 61.3 |
| 30 (CH3) | 19 |
