Spektraris NMR
Sipholenoside A
Common Name: Sipholenoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H60O8/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/h12,20-21,23-25,27-31,38-41H,10-11,13-19H2,1-9H3/b22-12-/t20-,21+,23-,24-,25-,27?,28-,29+,30+,31-,34-,35+,36-/m1/s1
InChIKey: InChIKey=HNSOBKBOFOVHBX-MHHGBTJZSA-N
Formula: C36H60O8
Molecular Weight: 620.858177
Exact Mass: 620.428819
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) | 42.3 |
| 2 (CH2) | 40.8 |
| 3 (CH2) | 35.2 |
| 4 (C) | 216.3 |
| 5 (C) | 82.4 |
| 7 (CH) | 81.3 |
| 8 (CH2) | 26.4 |
| 9 (CH2) | 41.4 |
| 10 (C) | 72.8 |
| 11 (CH) | 58.1 |
| 12 (CH2) | 32.8 |
| 13 (CH) | 134.1 |
| 14 (C) | 139.7 |
| 15 (CH) | 33.8 |
| 16 (CH2) | 31.7 |
| 17 (CH2) | 20.8 |
| 18 (CH) | 46.2 |
| 19 (C) | 78.9 |
| 20 (CH2) | 37 |
| 21 (CH2) | 23.8 |
| 22 (CH) | 51.3 |
| 23 (C) | 32.7 |
| 24 (CH3) | 12.7 |
| 25 (CH3) | 20.4 |
| 26 (CH3) | 24.9 |
| 27 (CH3) | 28.6 |
| 28 (CH3) | 25.9 |
| 29 (CH3) | 22.6 |
| 30 (CH3) | 23.3 |
| 31 (CH3) | 28.8 |
| 1' (CH) | 93.7 |
| 2' (CH) | 72.5 |
| 3' (CH) | 72.2 |
| 4' (CH) | 74.1 |
| 5' (CH) | 67.8 |
| 6' (CH3) | 17.6 |
