Spektraris NMR
Sipholenoside B
Common Name: Sipholenoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H62O8/c1-20-10-11-24-23(14-19-36(24,9)44-31-30(40)29(39)28(38)21(2)42-31)32(3,4)22(20)12-13-25-34(7)17-15-26(37)33(5,6)43-27(34)16-18-35(25,8)41/h10,21-31,37-41H,11-19H2,1-9H3/t21-,22-,23+,24+,25+,26+,27?,28+,29-,30-,31+,34+,35-,36+/m0/s1
InChIKey: InChIKey=YDXLHORABGUKRX-BDUZMUQRSA-N
Formula: C36H62O8
Molecular Weight: 622.874058
Exact Mass: 622.444469
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kashman, Y., Yosief, T., Carmeli, S. J Nat Prod (2001) 64, 175-80
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sipholanes; 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 (C) | 42.6 |
| 2 (CH2) | 33.6 |
| 3 (CH2) | 25.1 |
| 4 (CH) | 76.5 |
| 5 (C) | 77.2 |
| 7 (CH) | 74.1 |
| 8 (CH2) | 26.6 |
| 9 (CH2) | 39 |
| 10 (C) | 72.6 |
| 11 (CH) | 55.7 |
| 12 (CH2) | 26.7 |
| 13 (CH2) | 33.6 |
| 14 (CH) | 57.5 |
| 15 (C) | 143.3 |
| 16 (CH) | 121.1 |
| 17 (CH2) | 24.2 |
| 18 (CH) | 45.1 |
| 19 (C) | 89.3 |
| 20 (CH2) | 33.8 |
| 21 (CH2) | 21.4 |
| 22 (CH) | 52.9 |
| 23 (C) | 35.4 |
| 24 (CH3) | 12.9 |
| 25 (CH3) | 21.3 |
| 26 (CH3) | 29.1 |
| 27 (CH3) | 29.5 |
| 28 (CH3) | 30.1 |
| 29 (CH3) | 24.9 |
| 30 (CH3) | 31.8 |
| 31 (CH3) | 29.8 |
| 1' (CH) | 94.2 |
| 2' (CH) | 71.9 |
| 3' (CH) | 70.5 |
| 4' (CH) | 72.3 |
| 5' (CH) | 67.6 |
| 6' (CH3) | 17.4 |
