Spektraris NMR
Sipholenol I
Common Name: Sipholenol I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O6/c1-24(2)18-9-14-27(6,33)19(18)17-22(32)29(8)30(24,36-29)16-10-20-26(5)13-11-21(31)25(3,4)35-23(26)12-15-28(20,7)34/h18-23,31-34H,9-17H2,1-8H3/t18-,19-,20-,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=WWWZOBMNBOEYTA-VFBDFASRSA-N
Formula: C30H52O6
Molecular Weight: 508.731426
Exact Mass: 508.376389
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 : 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) | 42.9 |
| 2 (CH2) | 34.5 |
| 3 (CH2) | 25.3 |
| 4 (CH) | 77.2 |
| 5 (C) | 77.8 |
| 7 (CH) | 76.8 |
| 8 (CH2) | 26.8 |
| 9 (CH2) | 39.3 |
| 10 (C) | 72.7 |
| 11 (CH) | 55.7 |
| 12 (CH2) | 21 |
| 13 (CH2) | 36.7 |
| 14 (C) | 70 |
| 15 (C) | 65.7 |
| 16 (CH) | 69.5 |
| 17 (CH2) | 31.3 |
| 18 (CH) | 39.2 |
| 19 (C) | 72.2 |
| 20 (CH2) | 30.2 |
| 21 (CH2) | 38 |
| 22 (CH) | 40.2 |
| 23 (C) | 31.8 |
| 24 (CH3) | 13.4 |
| 25 (CH3) | 21.4 |
| 26 (CH3) | 29.2 |
| 27 (CH3) | 29.5 |
| 28 (CH3) | 16.8 |
| 29 (CH3) | 30.4 |
| 30 (CH3) | 25.4 |
| 31 (CH3) | 35.6 |
