Spektraris NMR
16-Oxosipholenol A
Common Name: 16-Oxosipholenol A
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/h18-21,23-25,32-34H,9-17H2,1-8H3/t18-,19+,20-,21-,23-,24-,25-,28-,29-,30+/m1/s1
InChIKey: InChIKey=PJHDUNNDHRIKIT-CTKUFVSLSA-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) | 42.8 |
| 2 (CH2) | 34.3 |
| 3 (CH2) | 25.1 |
| 4 (CH) | 77.1 |
| 5 (C) | 77.8 |
| 7 (CH) | 76.4 |
| 8 (CH2) | 26.7 |
| 9 (CH2) | 39.3 |
| 10 (C) | 72.1 |
| 11 (CH) | 56 |
| 12 (CH2) | 30 |
| 13 (CH2) | 32.7 |
| 14 (CH) | 55.2 |
| 15 (CH) | 46.5 |
| 16 (C) | 214.3 |
| 17 (CH2) | 41.6 |
| 18 (CH) | 46.9 |
| 19 (C) | 81.7 |
| 20 (CH2) | 37.2 |
| 21 (CH2) | 25.3 |
| 22 (CH) | 50.9 |
| 23 (C) | 38 |
| 24 (CH3) | 13.2 |
| 25 (CH3) | 21.5 |
| 26 (CH3) | 29.2 |
| 27 (CH3) | 30.5 |
| 28 (CH3) | 16.9 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 28.4 |
| 31 (CH3) | 33.8 |
