Spektraris NMR
Sipholenol A
Common Name: Sipholenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h9,20-25,31-33H,10-18H2,1-8H3/t20-,21+,22+,23+,24+,25+,28+,29+,30-/m0/s1
InChIKey: InChIKey=LVWWPNAIMBYRKG-KOHQYJKCSA-N
Formula: C30H52O4
Molecular Weight: 476.732616
Exact Mass: 476.38656
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) | 42.2 |
| 2 (CH2) | 33.6 |
| 3 (CH2) | 24.6 |
| 4 (CH) | 75.9 |
| 5 (C) | 78 |
| 7 (CH) | 76.2 |
| 8 (CH2) | 26.2 |
| 9 (CH2) | 38.6 |
| 10 (C) | 71.9 |
| 11 (CH) | 55.7 |
| 12 (CH2) | 26.4 |
| 13 (CH2) | 33.4 |
| 14 (CH) | 57.3 |
| 15 (C) | 142.7 |
| 16 (CH) | 120.9 |
| 17 (CH2) | 24.3 |
| 18 (CH) | 48 |
| 19 (C) | 81.4 |
| 20 (CH2) | 36.5 |
| 21 (CH2) | 24.7 |
| 22 (CH) | 52.2 |
| 23 (C) | 35 |
| 24 (CH3) | 12.6 |
| 25 (CH3) | 21 |
| 26 (CH3) | 28.5 |
| 27 (CH3) | 29.2 |
| 28 (CH3) | 29.6 |
| 29 (CH3) | 24.9 |
| 30 (CH3) | 29 |
| 31 (CH3) | 31.2 |
