Spektraris NMR
9β-Hydroxysipholenol A
Common Name: 9β-Hydroxysipholenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O5/c1-18-9-10-21-20(13-16-29(21,7)33)26(2,3)19(18)11-12-22-28(6)15-14-23(31)27(4,5)35-25(28)17-24(32)30(22,8)34/h9,19-25,31-34H,10-17H2,1-8H3/t19-,20+,21+,22+,23+,24-,25+,28+,29+,30+/m0/s1
InChIKey: InChIKey=XPBVOPMWUKAVEK-JNGBOECESA-N
Formula: C30H52O5
Molecular Weight: 492.732021
Exact Mass: 492.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jain, S., Shirode, A., Yacoub, S., Barbo, A., Sylvester, P.W., Huntimer, E., Halaweish, F., El Sayed, K.A. Planta Med (2007) 73, 591-6
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) | 42.7 |
| 2 (CH2) | 33.8 |
| 3 (CH2) | 25.1 |
| 4 (CH) | 76.9 |
| 5 (C) | 78.1 |
| 7 (CH) | 73.8 |
| 8 (CH2) | 26.5 |
| 9 (CH) | 73.7 |
| 10 (C) | 74.8 |
| 11 (CH) | 53.7 |
| 12 (CH2) | 35.8 |
| 13 (CH2) | 33.9 |
| 14 (CH) | 57.6 |
| 15 (C) | 143.2 |
| 16 (CH) | 121.4 |
| 17 (CH2) | 24.9 |
| 18 (CH) | 48.9 |
| 19 (C) | 82.2 |
| 20 (CH2) | 37.2 |
| 21 (CH2) | 25.2 |
| 22 (CH) | 52.8 |
| 23 (C) | 35.5 |
| 24 (CH3) | 12.9 |
| 25 (CH3) | 21.5 |
| 26 (CH3) | 29.1 |
| 27 (CH3) | 24.9 |
| 28 (CH3) | 30.3 |
| 29 (CH3) | 25.7 |
| 30 (CH3) | 29.6 |
| 31 (CH3) | 31.7 |
