Spektraris NMR
Methyl (1α,3β,9β,21S,24S)-1,3-dihydroxy-21-methoxy-21,24-epoxy-9,19-cyclolanost-25-en-28-oate
Common Name: Methyl (1α,3β,9β,21S,24S)-1,3-dihydroxy-21-methoxy-21,24-epoxy-9,19-cyclolanost-25-en-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O6/c1-18(2)21-9-8-19(26(36-6)38-21)20-12-13-29(4)22-10-11-23-30(5,27(35)37-7)24(33)16-25(34)32(23)17-31(22,32)15-14-28(20,29)3/h19-26,33-34H,1,8-17H2,2-7H3/t19?,20-,21+,22+,23+,24+,25+,26+,28-,29+,30+,31+,32-/m1/s1
InChIKey: InChIKey=QPYCAQVRIHEGFV-KNAYCLKTSA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Banskota, A.H., Tezuka, Y., Tran, K.Q., Tanaka, K., Saiki, I., Kadota, S. Chem Pharm Bull (2000) 48, 496-504
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 (CH) | 72.4 |
| 2 (CH2) | 38.7 |
| 3 (CH) | 70.5 |
| 4 (C) | 56.1 |
| 5 (CH) | 38 |
| 6 (CH2) | 23.3 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 48.2 |
| 9 (C) | 20.8 |
| 10 (C) | 30.2 |
| 11 (CH2) | 27.2 |
| 12 (CH2) | 31.6 |
| 13 (C) | 45.9 |
| 14 (C) | 49.1 |
| 15 (CH2) | 35.9 |
| 16 (CH2) | 25.8 |
| 17 (CH) | 46.9 |
| 18 (CH3) | 19.1 |
| 19 (CH2) | 29.9 |
| 20 (CH) | 42.8 |
| 21 (CH) | 100.1 |
| 22 (CH2) | 24.7 |
| 23 (CH2) | 30.8 |
| 24 (CH) | 71.2 |
| 25 (C) | 146.8 |
| 26 (CH2) | 110.4 |
| 27 (CH3) | 19 |
| 28 (C) | 178.1 |
| 29 (CH3) | 9.5 |
| 30 (CH3) | 19.1 |
| 21a (CH3) | 53.9 |
| 28a (CH3) | 51.6 |
