Spektraris NMR
3β-Hydroxycycloart-24-en-23-one 3-sulfate
Common Name: 3β-Hydroxycycloart-24-en-23-one 3-sulfate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5S/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/h16,20,22-25H,8-15,17-18H2,1-7H3,(H,32,33,34)/p-1/t20-,22+,23+,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=PYDWQIQFFVIPKS-PHCWRSJSSA-M
Formula: C30H48O5S1
Molecular Weight: 520.766342
Exact Mass: 520.322245
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) | 27.3 |
| 3 (CH) | 82.2 |
| 4 (C) | 39.6 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 25.5 |
| 8 (CH) | 47.2 |
| 9 (C) | 19.4 |
| 10 (C) | 25.8 |
| 11 (CH2) | 25.8 |
| 12 (CH2) | 32.3 |
| 13 (C) | 44.9 |
| 14 (C) | 48.5 |
| 15 (CH2) | 35 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 51.8 |
| 18 (CH3) | 17.8 |
| 19 (CH2) | 29 |
| 20 (CH) | 32.8 |
| 21 (CH3) | 19.1 |
| 22 (CH2) | 51.1 |
| 23 (C) | 200.4 |
| 24 (CH) | 124.2 |
| 25 (C) | 153.6 |
| 26 (CH3) | 27 |
| 27 (CH3) | 20.2 |
| 28 (CH3) | 25.6 |
| 29 (CH3) | 15 |
| 30 (CH3) | 19.1 |
