Spektraris NMR
12beta-Acetoxycleocarpone
Common Name: 12beta-Acetoxycleocarpone
Synonyms: 12beta-Acetoxycleocarpone
CAS Registry Number:
InChI: InChI=1S/C32H50O6/c1-19(33)36-20-18-22-27(6)12-11-23(34)25(2,3)21(27)10-13-28(22,7)29(8)14-16-31(24(20)29)30(9)15-17-32(37-30,38-31)26(4,5)35/h20-22,24,35H,10-18H2,1-9H3/t20-,21+,22-,24+,27+,28-,29-,30+,31-,32-/m1/s1
InChIKey: InChIKey=ZHCMMSAQQHMOOP-VULMRHIUSA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
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) | 41 |
| 2 (CH2) | 34.3 |
| 3 (C) | 218.2 |
| 4 (C) | 47.7 |
| 5 (CH) | 54.4 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 34.1 |
| 8 (C) | 42.1 |
| 9 (CH) | 52.7 |
| 10 (C) | 37.9 |
| 11 (CH2) | 31 |
| 12 (CH) | 73.4 |
| 13 (CH) | 42.4 |
| 14 (C) | 49.4 |
| 15 (CH2) | 31.6 |
| 16 (CH2) | 38 |
| 17 (C) | 89.2 |
| 18 (CH3) | 17.6 |
| 19 (CH3) | 16.2 |
| 20 (C) | 90.8 |
| 21 (CH3) | 22.1 |
| 22 (CH2) | 32.2 |
| 23 (CH2) | 32.1 |
| 24 (C) | 112.9 |
| 25 (C) | 70.4 |
| 26 (CH3) | 25.5 |
| 27 (CH3) | 24.2 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 20.3 |
| 30 (CH3) | 17.8 |
| 12a (C) | 170.2 |
| 12b (CH3) | 21.8 |
