Spektraris NMR
Cycloart-24-en-3b, 23(R)-diol 3-sulfate
Common Name: Cycloart-24-en-3b, 23(R)-diol 3-sulfate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5S/c1-19(2)16-21(31)17-20(3)22-10-12-28(7)24-9-8-23-26(4,5)25(35-36(32,33)34)11-13-29(23)18-30(24,29)15-14-27(22,28)6/h16,20-25,31H,8-15,17-18H2,1-7H3,(H,32,33,34)/t20-,21+,22+,23+,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=VDRFCZKVGJGFGL-HVDQDYAZSA-N
Formula: C30H50O5S1
Molecular Weight: 522.782224
Exact Mass: 522.337895
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Horgen, F.D., Sakamoto, B., Scheuer, P.J. J Nat Prod (2000) 63, 210-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 31.3 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 82.2 |
| 4 (C) | 39.6 |
| 5 (CH) | 47.3 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 25.5 |
| 8 (CH) | 47.3 |
| 9 (C) | 19.5 |
| 10 (C) | 25.8 |
| 11 (CH2) | 25.9 |
| 12 (CH2) | 32.5 |
| 13 (C) | 44.9 |
| 14 (C) | 48.4 |
| 15 (CH2) | 35 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 52.3 |
| 18 (CH3) | 17.9 |
| 19 (CH2) | 29.1 |
| 20 (CH) | 31.9 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 44.4 |
| 23 (CH) | 64 |
| 24 (CH) | 131 |
| 25 (C) | 129.5 |
| 26 (CH3) | 25.4 |
| 27 (CH3) | 17.8 |
| 28 (CH3) | 25.6 |
| 29 (CH3) | 15 |
| 30 (CH3) | 19 |
