Spektraris NMR
(1α,3β,4α,5α,9β)-1,3-Dihydroxy-14-methyl-9,19-cycloergost-24(28)-ene-4-carboxylic acid
Common Name: (1α,3β,4α,5α,9β)-1,3-Dihydroxy-14-methyl-9,19-cycloergost-24(28)-ene-4-carboxylic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17(2)18(3)7-8-19(4)20-11-12-28(6)23-10-9-21-25(26(33)34)22(31)15-24(32)30(21)16-29(23,30)14-13-27(20,28)5/h17,19-25,31-32H,3,7-16H2,1-2,4-6H3,(H,33,34)/t19-,20-,21+,22+,23+,24+,25+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=YWHSVTOZVOOYJX-QMIHFCROSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
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) | 71.8 |
| 2 (CH2) | 42.8 |
| 3 (CH) | 68.7 |
| 4 (CH) | 60.2 |
| 5 (CH) | 34.2 |
| 6 (CH2) | 25.7 |
| 7 (CH2) | 25 |
| 8 (CH) | 46.9 |
| 9 (C) | 24.5 |
| 10 (C) | 33.3 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 33.1 |
| 13 (C) | 45.6 |
| 14 (C) | 49.2 |
| 15 (CH2) | 35.6 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 52.4 |
| 18 (CH3) | 18 |
| 19 (CH2) | 26.5 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 35.3 |
| 23 (CH2) | 31.6 |
| 24 (C) | 156.7 |
| 25 (CH) | 34.1 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 22 |
| 28 (C) | 177.5 |
| 30 (CH3) | 19.2 |
| 24a (CH2) | 106.7 |
