Spektraris NMR
1b,3b,22-Trihydroxyhopane 1,3 diacetate
Common Name: 1b,3b,22-Trihydroxyhopane 1,3 diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H56O5/c1-20(35)38-27-19-28(39-21(2)36)34(10)24(29(27,3)4)15-18-33(9)26(34)12-11-25-31(7)16-13-22(30(5,6)37)23(31)14-17-32(25,33)8/h22-28,37H,11-19H2,1-10H3/t22-,23-,24-,25+,26-,27-,28+,31-,32+,33+,34-/m0/s1
InChIKey: InChIKey=HIGXRAWIRQTPEC-SFCXCOMZSA-N
Formula: C34H56O5
Molecular Weight: 544.806727
Exact Mass: 544.412775
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huneck S., Preiss A., Schmidt J., Mendez A.M. Phytochemistry (1983) 22, 2027
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 (CH) | 80.3 |
| 2 (CH2) | 30 |
| 3 (CH) | 76.4 |
| 4 (C) | 37.8 |
| 5 (CH) | 52.8 |
| 6 (CH2) | 17.7 |
| 7 (CH2) | 32.9 |
| 8 (C) | 42.3 |
| 9 (CH) | 50.7 |
| 10 (C) | 42.2 |
| 11 (CH2) | 23 |
| 12 (CH2) | 24 |
| 13 (CH) | 49.3 |
| 14 (C) | 41.9 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 21.9 |
| 17 (CH) | 53.9 |
| 18 (C) | 43.9 |
| 19 (CH2) | 41.2 |
| 20 (CH2) | 26.6 |
| 21 (CH) | 51.1 |
| 22 (C) | 73.9 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 12.8 |
| 26 (CH3) | 16 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 16.1 |
| 29 (CH3) | 28.7 |
| 30 (CH3) | 30.9 |
| 1a (C) | 170 |
| 1b (CH3) | 21 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.7 |
