Spektraris NMR
3b-Acetoxy-6b-hydroxytaraxasta-20-ene
Common Name: 3b-Acetoxy-6b-hydroxytaraxasta-20-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O3/c1-19-12-14-29(6)16-17-31(8)22(26(29)20(19)2)10-11-24-30(7)15-13-25(35-21(3)33)28(4,5)27(30)23(34)18-32(24,31)9/h12,20,22-27,34H,10-11,13-18H2,1-9H3/t20-,22-,23-,24-,25+,26+,27+,29-,30-,31-,32-/m1/s1
InChIKey: InChIKey=HTIMQRKSQMZJEC-QUJMKSDASA-N
Formula: C32H52O3
Molecular Weight: 484.754683
Exact Mass: 484.391646
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Flagg, M.L., Valcic, S., Montenegro, G., Gomez, M., Timmermann, B.N. Phytochemistry (1999) 52, 1345-50
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxastanes; 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) | 40.7 |
| 2 (CH2) | 24.5 |
| 3 (CH) | 81.2 |
| 4 (C) | 39.1 |
| 5 (CH) | 56 |
| 6 (CH) | 67.6 |
| 7 (CH2) | 42.3 |
| 8 (C) | 40.7 |
| 9 (CH) | 51.3 |
| 10 (C) | 37 |
| 11 (CH2) | 22 |
| 12 (CH2) | 28.1 |
| 13 (CH) | 38.6 |
| 14 (C) | 42.7 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 37.1 |
| 17 (C) | 34.6 |
| 18 (CH) | 49.1 |
| 19 (CH) | 36.5 |
| 20 (C) | 140 |
| 21 (CH) | 119.4 |
| 22 (CH2) | 42.5 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 18.6 |
| 25 (CH3) | 18.1 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 15.2 |
| 28 (CH3) | 18 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 21.9 |
| 3a (C) | 170.7 |
| 3b (CH3) | 21.2 |
