Spektraris NMR
Methyl 3b-hydroxy-23-oxocycloart-24-en-28-oate 3-sulfate
Common Name: Methyl 3b-hydroxy-23-oxocycloart-24-en-28-oate 3-sulfate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O7S/c1-19(2)16-21(32)17-20(3)22-10-12-28(5)23-8-9-24-29(6,26(33)37-7)25(38-39(34,35)36)11-13-30(24)18-31(23,30)15-14-27(22,28)4/h16,20,22-25H,8-15,17-18H2,1-7H3,(H,34,35,36)/t20-,22+,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1
InChIKey: InChIKey=YHKZVCVVLXIHNA-QYGQCGBXSA-N
Formula: C31H48O7S1
Molecular Weight: 564.775888
Exact Mass: 564.312075
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) | 33.4 |
| 2 (CH2) | 28 |
| 3 (CH) | 83.6 |
| 4 (C) | 55.2 |
| 5 (CH) | 45.9 |
| 6 (CH2) | 24 |
| 7 (CH2) | 26.6 |
| 8 (CH) | 49.2 |
| 9 (C) | 21.3 |
| 10 (C) | 26.3 |
| 11 (CH2) | 27.4 |
| 12 (CH2) | 33.9 |
| 13 (C) | 46.6 |
| 14 (C) | 50.1 |
| 15 (CH2) | 36.5 |
| 16 (CH2) | 29.3 |
| 17 (CH) | 53.8 |
| 18 (CH3) | 18.6 |
| 19 (CH2) | 30.6 |
| 20 (CH) | 34.8 |
| 21 (CH3) | 19.8 |
| 22 (CH2) | 52.6 |
| 23 (C) | 203.9 |
| 24 (CH) | 125.3 |
| 25 (C) | 156.8 |
| 26 (CH3) | 27.7 |
| 27 (CH3) | 20.9 |
| 28 (C) | 178.1 |
| 29 (CH3) | 10.6 |
| 30 (CH3) | 19.8 |
| 28a (CH3) | 52.6 |
