Spektraris NMR
Sipholenol H
Common Name: Sipholenol H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O5/c1-18-19(26(2,3)20-11-15-29(7,33)21(20)17-22(18)31)9-10-23-28(6)14-12-24(32)27(4,5)35-25(28)13-16-30(23,8)34/h20-25,31-34H,9-17H2,1-8H3/t20-,21-,22+,23-,24-,25-,28-,29-,30+/m1/s1
InChIKey: InChIKey=SERJIGRFXKIBIE-ONGCRIIZSA-N
Formula: C30H52O5
Molecular Weight: 492.732021
Exact Mass: 492.381475
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) | 42.4 |
| 2 (CH2) | 34.2 |
| 3 (CH2) | 25 |
| 4 (CH) | 76.4 |
| 5 (C) | 78.2 |
| 7 (CH) | 76.4 |
| 8 (CH2) | 26.3 |
| 9 (CH2) | 38.8 |
| 10 (C) | 72 |
| 11 (CH) | 55.2 |
| 12 (CH2) | 24.8 |
| 13 (CH2) | 37.9 |
| 14 (C) | 125.8 |
| 15 (C) | 143 |
| 16 (CH) | 83 |
| 17 (CH2) | 27.4 |
| 18 (CH) | 42.1 |
| 19 (C) | 72 |
| 20 (CH2) | 30.3 |
| 21 (CH2) | 36.1 |
| 22 (CH) | 44.7 |
| 23 (C) | 34.4 |
| 24 (CH3) | 12.5 |
| 25 (CH3) | 21.1 |
| 26 (CH3) | 28.7 |
| 27 (CH3) | 29.9 |
| 28 (CH3) | 16.7 |
| 29 (CH3) | 28.3 |
| 30 (CH3) | 23.2 |
| 31 (CH3) | 35.3 |
