Spektraris NMR
16Ç-acetoxy-20,24-epoxy-9,19-cyclolanostane-3Ç,12Ç,25-triol-3-O-Ç-D-xylopyranoside
Common Name: 16Ç-acetoxy-20,24-epoxy-9,19-cyclolanostane-3Ç,12Ç,25-triol-3-O-Ç-D-xylopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O6/c1-18(33)37-19-15-28(6)21-10-9-20-26(2,3)22(34)11-14-31(20)17-32(21,31)16-23(35)30(28,8)25(19)29(7)13-12-24(38-29)27(4,5)36/h19-25,34-36H,9-17H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,28-,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=IUBNLRQFNPUNPI-YHULOKNXSA-N
Formula: C32H52O6
Molecular Weight: 532.752897
Exact Mass: 532.376389
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ju, J.H., Liu, D., Lin, G., Xu, X.D., Han, B., Yang, J.S., Tu, G.Z., Ma, L.B. J Nat Prod (2002) 65, 42-7
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 (CH2) | 32.2 |
| 2 (CH2) | 31.2 |
| 3 (CH) | 78 |
| 4 (C) | 41.1 |
| 5 (CH) | 47.4 |
| 6 (CH2) | 20.3 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 46.4 |
| 9 (C) | 20.3 |
| 10 (C) | 26.9 |
| 11 (CH2) | 38.2 |
| 12 (CH) | 72.4 |
| 13 (C) | 53.1 |
| 14 (C) | 48.3 |
| 15 (CH2) | 45.7 |
| 16 (CH) | 75.3 |
| 17 (CH) | 57.8 |
| 18 (CH3) | 13.8 |
| 19 (CH2) | 30.5 |
| 20 (C) | 85.1 |
| 21 (CH3) | 28 |
| 22 (CH2) | 35.1 |
| 23 (CH2) | 25.7 |
| 24 (CH) | 82.9 |
| 25 (C) | 69.9 |
| 26 (CH3) | 28.8 |
| 27 (CH3) | 27.7 |
| 28 (CH3) | 26.2 |
| 29 (CH3) | 14.8 |
| 30 (CH3) | 21.1 |
| 16a (C) | 170.1 |
| 16b (CH3) | 21.5 |
