Spektraris NMR
6a, 16b-Diacetoxy-22-hydroxyhopan-24-oic acid
Common Name: 6a, 16b-Diacetoxy-22-hydroxyhopan-24-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O7/c1-19(35)40-22-17-33(8)24(30(5)16-13-21(26(22)30)29(3,4)39)11-12-25-31(6)14-10-15-32(7,28(37)38)27(31)23(41-20(2)36)18-34(25,33)9/h21-27,39H,10-18H2,1-9H3,(H,37,38)/t21-,22-,23-,24+,25+,26+,27+,30+,31+,32-,33+,34+/m0/s1
InChIKey: InChIKey=CGXOWMTVSZMHMV-PGQINZSQSA-N
Formula: C34H54O7
Molecular Weight: 574.789656
Exact Mass: 574.386954
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Giner F.J.A., Wollenweber E. Phytochemistry (1986) 25, 735
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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 (CH2) | 39.2 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 40.5 |
| 4 (C) | 44.1 |
| 5 (CH) | 58.6 |
| 6 (CH) | 73 |
| 7 (CH2) | 40.4 |
| 8 (C) | 42.5 |
| 9 (CH) | 48.7 |
| 10 (C) | 40 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 23.5 |
| 13 (CH) | 48.7 |
| 14 (C) | 44 |
| 15 (CH2) | 41.1 |
| 16 (CH) | 72.4 |
| 17 (CH) | 57 |
| 18 (C) | 45.5 |
| 19 (CH2) | 41.6 |
| 20 (CH2) | 27.6 |
| 21 (CH) | 51.6 |
| 22 (C) | 73.2 |
| 23 (CH3) | 32.2 |
| 24 (C) | 181.1 |
| 25 (CH3) | 17 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 14.9 |
| 28 (CH3) | 17.6 |
| 29 (CH3) | 27.5 |
| 30 (CH3) | 30.3 |
| 6a (C) | 169.9 |
| 6b (CH3) | 21.5 |
| 16a (C) | 170.1 |
| 16b (CH3) | 21.8 |
