Spektraris NMR
15,16b-Epoxy-22-hydroxysipholenone A
Common Name: 15,16b-Epoxy-22-hydroxysipholenone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O6/c1-24(2)18(29(8)23(36-29)17-20-28(7,33)15-16-30(20,24)34)9-10-19-26(5)13-11-21(31)25(3,4)35-22(26)12-14-27(19,6)32/h18-20,22-23,32-34H,9-17H2,1-8H3/t18-,19-,20+,22-,23-,26-,27+,28-,29+,30+/m1/s1
InChIKey: InChIKey=JMFFSYWZPHKFPC-DQJMHQAQSA-N
Formula: C30H50O6
Molecular Weight: 506.715544
Exact Mass: 506.360739
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) | 42.3 |
| 2 (CH2) | 39.8 |
| 3 (CH2) | 35.1 |
| 4 (C) | 218.3 |
| 5 (C) | 82.5 |
| 7 (CH) | 81.2 |
| 8 (CH2) | 26.6 |
| 9 (CH2) | 39 |
| 10 (C) | 72 |
| 11 (CH) | 56.3 |
| 12 (CH2) | 27.5 |
| 13 (CH2) | 31.6 |
| 14 (CH) | 51.9 |
| 15 (C) | 61.8 |
| 16 (CH) | 54.9 |
| 17 (CH2) | 28.4 |
| 18 (CH) | 41 |
| 19 (C) | 83.6 |
| 20 (CH2) | 32 |
| 21 (CH2) | 25.8 |
| 22 (C) | 91.6 |
| 23 (C) | 44.1 |
| 24 (CH3) | 12.2 |
| 25 (CH3) | 20.5 |
| 26 (CH3) | 26.7 |
| 27 (CH3) | 30.9 |
| 28 (CH3) | 21.7 |
| 29 (CH3) | 26 |
| 30 (CH3) | 22.2 |
| 31 (CH3) | 26.4 |
