Spektraris NMR
Methyl 3β,23(R)-dihydroxy-29-nor-cycloart-24-en-28-oate 3-sulfate
Common Name: Methyl 3β,23(R)-dihydroxy-29-nor-cycloart-24-en-28-oate 3-sulfate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O7S/c1-18(2)15-20(31)16-19(3)21-9-11-28(5)24-8-7-22-25(26(32)36-6)23(37-38(33,34)35)10-12-29(22)17-30(24,29)14-13-27(21,28)4/h15,19-25,31H,7-14,16-17H2,1-6H3,(H,33,34,35)/p-1/t19-,20+,21+,22+,23+,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=ZACGVMMBQFJTOT-LCUAWKNSSA-M
Formula: C30H48O7S1
Molecular Weight: 552.765152
Exact Mass: 552.312075
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) | 31.1 |
| 2 (CH2) | 32.4 |
| 3 (CH) | 80.4 |
| 4 (CH) | 57.5 |
| 5 (CH) | 42 |
| 6 (CH2) | 26.2 |
| 7 (CH2) | 25.6 |
| 8 (CH) | 48 |
| 9 (C) | 25.1 |
| 10 (C) | 29.8 |
| 11 (CH2) | 28 |
| 12 (CH2) | 34.1 |
| 13 (C) | 46.6 |
| 14 (C) | 50.1 |
| 15 (CH2) | 36.3 |
| 16 (CH2) | 29.1 |
| 17 (CH) | 54.1 |
| 18 (CH3) | 18.2 |
| 19 (CH2) | 27.2 |
| 20 (CH) | 33.8 |
| 21 (CH3) | 19 |
| 22 (CH2) | 45.6 |
| 23 (CH) | 66.7 |
| 24 (CH) | 130.5 |
| 25 (C) | 133.4 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 18.1 |
| 28 (C) | 175.7 |
| 30 (CH3) | 19.5 |
| 28a (CH3) | 52.1 |
