Spektraris NMR
Bacteriohopanetetrol(32R,33R,34S,35-tetrahydroxy-bacteriohopane
Common Name: Bacteriohopanetetrol(32R,33R,34S,35-tetrahydroxy-bacteriohopane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H70O8/c1-26(13-14-33(49-28(3)45)38(51-30(5)47)34(50-29(4)46)25-48-27(2)44)31-17-22-40(8)32(31)18-23-42(10)36(40)15-16-37-41(9)21-12-20-39(6,7)35(41)19-24-43(37,42)11/h26,31-38H,12-25H2,1-11H3/t26?,31-,32+,33-,34+,35+,36-,37-,38-,40+,41+,42-,43-/m1/s1
InChIKey: InChIKey=YBAZNAYUDPCKFQ-VAGGDTLUSA-N
Formula: C43H70O8
Molecular Weight: 715.012736
Exact Mass: 714.507069
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Neunlist, S., Rohmer, M. J Chem Soc, Chem Commun (1988) 0, 830
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) | 40.2 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.2 |
| 8 (C) | 41.6 |
| 9 (CH) | 50.3 |
| 10 (C) | 37.3 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 23.9 |
| 13 (CH) | 49.2 |
| 14 (C) | 41.7 |
| 15 (CH2) | 33.6 |
| 16 (CH2) | 22.6 |
| 17 (CH) | 54.3 |
| 18 (C) | 44.3 |
| 19 (CH2) | 41.5 |
| 20 (CH2) | 27.4 |
| 21 (CH) | 45.8 |
| 22 (CH) | 36 |
| 23 (CH3) | 33.3 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 16.5 |
| 28 (CH3) | 15.8 |
| 29 (CH3) | 19.7 |
| 30 (CH2) | 30.8 |
| 30a (CH2) | 26.1 |
| 30b (CH) | 69.4 |
| 30c (CH) | 71.5 |
| 30d (CH) | 71.9 |
| 30e (CH2) | 62 |
| 30ba (C) | 170.5 |
| 30bb (CH3) | 20.8 |
| 30ca (C) | 170.2 |
| 30cb (CH3) | 20.8 |
| 30da (C) | 169.8 |
| 30db (CH3) | 20.7 |
| 30ea (C) | 169.6 |
| 30eb (CH3) | 20.6 |
