Spektraris NMR
methyl 25-Hydroxy-3-epidehydrotumulosate
Common Name: methyl 25-Hydroxy-3-epidehydrotumulosate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O5/c1-19(29(4,5)36)10-11-20(27(35)37-9)26-23(33)18-32(8)22-12-13-24-28(2,3)25(34)15-16-30(24,6)21(22)14-17-31(26,32)7/h12,14,20,23-26,33-34,36H,1,10-11,13,15-18H2,2-9H3/t20-,23-,24+,25-,26+,30-,31-,32+/m1/s1
InChIKey: InChIKey=QYINWYSAHKZFTN-VXMIAYMGSA-N
Formula: C32H50O5
Molecular Weight: 514.737611
Exact Mass: 514.365825
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tai, T., Shingu, T., Kikuchi, T., Tezuka, Y., Akahori, A. Phytochemistry (1995) 39, 1165-9
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) | 30.7 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 75.1 |
| 4 (C) | 37.9 |
| 5 (CH) | 43.7 |
| 6 (CH2) | 23.4 |
| 7 (CH) | 121.4 |
| 8 (C) | 142.5 |
| 9 (C) | 146.7 |
| 10 (C) | 37.9 |
| 11 (CH) | 115.8 |
| 12 (CH2) | 36.1 |
| 13 (C) | 44.9 |
| 14 (C) | 49.3 |
| 15 (CH2) | 44.4 |
| 16 (CH) | 76.1 |
| 17 (CH) | 57.5 |
| 18 (CH3) | 17.6 |
| 19 (CH3) | 23 |
| 20 (CH) | 47.9 |
| 21 (C) | 176.5 |
| 22 (CH2) | 32.2 |
| 23 (CH2) | 29.8 |
| 24 (C) | 157.5 |
| 25 (C) | 72.4 |
| 26 (CH3) | 30.01 |
| 27 (CH3) | 30.02 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 23.1 |
| 30 (CH3) | 26.5 |
| 21a (CH3) | 51.1 |
| 24a (CH2) | 107.1 |
