Spektraris NMR
3-O-Acetyl-12beta-hydroxycleocarpanol
Common Name: 3-O-Acetyl-12beta-hydroxycleocarpanol
Synonyms: 3-O-Acetyl-12beta-hydroxycleocarpanol
CAS Registry Number:
InChI: InChI=1S/C32H52O6/c1-19(33)36-23-11-12-27(6)21(25(23,2)3)10-13-28(7)22(27)18-20(34)24-29(28,8)14-16-31(24)30(9)15-17-32(37-30,38-31)26(4,5)35/h20-24,34-35H,10-18H2,1-9H3/t20-,21+,22-,23-,24+,27+,28-,29-,30+,31-,32-/m1/s1
InChIKey: InChIKey=RXBLJXFGQJJUDL-HPYAPKKGSA-N
Formula: C32H52O6
Molecular Weight: 532.752897
Exact Mass: 532.376389
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagaya, H., Tobita, Y., Nagae, T., Itokawa, H., Takeya, K., Halim, A.F., AbdelHalim, O.B. Phytochemistry (1997) 44, 1115-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 36.1 |
| 2 (CH2) | 36 |
| 3 (CH) | 78.2 |
| 4 (C) | 37 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 35.3 |
| 8 (C) | 41.2 |
| 9 (CH) | 56.2 |
| 10 (C) | 39.2 |
| 11 (CH2) | 22.9 |
| 12 (CH) | 71.6 |
| 13 (CH) | 42.5 |
| 14 (C) | 49.6 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 37.9 |
| 17 (C) | 89.1 |
| 18 (CH3) | 18.1 |
| 19 (CH3) | 16.7 |
| 20 (C) | 90.9 |
| 21 (CH3) | 16.9 |
| 22 (CH2) | 32.1 |
| 23 (CH2) | 32 |
| 24 (C) | 112.8 |
| 25 (C) | 70.3 |
| 26 (CH3) | 25.4 |
| 27 (CH3) | 24.1 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 21.9 |
| 30 (CH3) | 16.2 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.4 |
