Spektraris NMR
3-O-Acetyl-16α-hydroxydehydrotrametenolic acid
Common Name: 3-O-Acetyl-16α-hydroxydehydrotrametenolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O5/c1-19(2)10-9-11-21(28(35)36)27-24(34)18-32(8)23-12-13-25-29(4,5)26(37-20(3)33)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,12,14,21,24-27,34H,9,11,13,15-18H2,1-8H3,(H,35,36)/t21-,24-,25+,26+,27+,30-,31-,32+/m1/s1
InChIKey: InChIKey=DLBLMTCYISHWGP-KOCSMGCBSA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tai, T., Shingu, T., Kikuchi, T., Tezuka, Y., Akahori, A. Phytochemistry (1995) 40, 225-31
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) | 24.6 |
| 3 (CH) | 80.6 |
| 4 (C) | 37.8 |
| 5 (CH) | 49.6 |
| 6 (CH2) | 23.1 |
| 7 (CH) | 120.7 |
| 8 (C) | 142.8 |
| 9 (C) | 145.8 |
| 10 (C) | 37.6 |
| 11 (CH) | 117 |
| 12 (CH2) | 36.3 |
| 13 (C) | 45.1 |
| 14 (C) | 49.4 |
| 15 (CH2) | 44.3 |
| 16 (CH) | 76.4 |
| 17 (CH) | 57.7 |
| 18 (CH3) | 17.6 |
| 19 (CH3) | 22.8 |
| 20 (CH) | 48.4 |
| 21 (C) | 178.6 |
| 22 (CH2) | 33.1 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 125.2 |
| 25 (C) | 131.5 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 17.1 |
| 30 (CH3) | 26.6 |
| 3a (C) | 170.6 |
| 3b (CH3) | 21.1 |
