Spektraris NMR
23-Oxo-3beta-(sulfooxy)-29-norlanosta-8,24-diene-28-oic acid 28-methyl ester
Common Name: 23-Oxo-3beta-(sulfooxy)-29-norlanosta-8,24-diene-28-oic acid 28-methyl ester
Synonyms: 23-Oxo-3beta-(sulfooxy)-29-norlanosta-8,24-diene-28-oic acid 28-methyl ester
CAS Registry Number:
InChI: InChI=1S/C30H46O7S/c1-18(2)16-20(31)17-19(3)21-10-14-30(6)23-8-9-24-26(27(32)36-7)25(37-38(33,34)35)12-13-28(24,4)22(23)11-15-29(21,30)5/h16,19,21,24-26H,8-15,17H2,1-7H3,(H,33,34,35)/t19-,21-,24+,25+,26+,28-,29-,30+/m1/s1
InChIKey: InChIKey=HXNMECQULOPUSC-KBWIDGCXSA-N
Formula: C30H46O7S1
Molecular Weight: 550.749271
Exact Mass: 550.296425
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 : Lanostanes; 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) | 35.6 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 80.4 |
| 4 (CH) | 53 |
| 5 (CH) | 45.1 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 26.1 |
| 8 (C) | 136.2 |
| 9 (C) | 134.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 22.8 |
| 12 (CH2) | 32.1 |
| 13 (C) | 45.8 |
| 14 (C) | 51.2 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 29.3 |
| 17 (CH) | 52 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 18 |
| 20 (CH) | 35.2 |
| 21 (CH3) | 20.1 |
| 22 (CH2) | 52.7 |
| 23 (C) | 204.1 |
| 24 (CH) | 125.3 |
| 25 (C) | 156.9 |
| 26 (CH3) | 27.6 |
| 27 (CH3) | 20.8 |
| 28 (C) | 176.1 |
| 30 (CH3) | 24.8 |
| 28a (CH3) | 52.2 |
