Spektraris NMR
Siphonellinol C
Common Name: Siphonellinol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O5/c1-20-10-13-24(32)28(6,17-9-16-26(2,3)33)21(20)11-12-22-29(7)18-14-23(31)27(4,5)35-25(29)15-19-30(22,8)34/h9,16,22-25,31-34H,10-15,17-19H2,1-8H3/b16-9+/t22-,23-,24-,25-,28+,29-,30+/m1/s1
InChIKey: InChIKey=WGFRLFUPNNMWTL-OLIMLXDHSA-N
Formula: C30H52O5
Molecular Weight: 492.732021
Exact Mass: 492.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jain, S., Laphookhieo, S., Shi, Z., Fu, L.W., Akiyama, S., Chen, Z.S., Youssef, D.T., van Soest, R.W., El Sayed, K.A. J Nat Prod (2007) 70, 928-31
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Siphonellanes; 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) | 42.9 |
| 2 (CH2) | 34.6 |
| 3 (CH2) | 25.3 |
| 4 (CH) | 77.1 |
| 5 (C) | 77.8 |
| 7 (CH) | 76.4 |
| 8 (CH2) | 26.8 |
| 9 (CH2) | 39.4 |
| 10 (C) | 72.3 |
| 11 (CH) | 56 |
| 12 (CH2) | 26.5 |
| 13 (CH2) | 30.1 |
| 14 (C) | 135.2 |
| 15 (C) | 128.9 |
| 16 (CH2) | 32.6 |
| 17 (CH2) | 26.4 |
| 18 (CH) | 72.2 |
| 19 (C) | 43.6 |
| 20 (CH2) | 40.9 |
| 21 (CH) | 123.6 |
| 22 (CH) | 140.7 |
| 23 (C) | 70.8 |
| 24 (CH3) | 29.9 |
| 25 (CH3) | 30 |
| 26 (CH3) | 13.2 |
| 27 (CH3) | 21.4 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 31 |
| 30 (CH3) | 20.7 |
| 31 (CH3) | 21.1 |
