Spektraris NMR
Micrandilactone C
Common Name: Micrandilactone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O9/c1-14-10-17(36-24(14)33)23(32)15(2)16-11-20(30)29(35)19-7-6-18-25(3,4)37-21-12-22(31)38-28(18,21)13-27(19,34)9-8-26(16,29)5/h10,15-21,23,30,32,34-35H,6-9,11-13H2,1-5H3/t15-,16+,17-,18-,19+,20-,21+,23-,26+,27-,28+,29+/m1/s1
InChIKey: InChIKey=LGYLRQGGJPTPQG-BLPBXWTOSA-N
Formula: C29H42O9
Molecular Weight: 534.639497
Exact Mass: 534.282883
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, R.T., Han, Q.B., Zheng, Y.T., Wang, R.R., Yang, L.M., Lu, Y., Sang, S.Q., Zheng, Q.T., Zhao, Q.S., Sun, H.D. Chem Commun (2005) 0, 2936-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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) | 82.8 |
| 2 (CH2) | 37.2 |
| 3 (C) | 177.6 |
| 4 (C) | 86.2 |
| 5 (CH) | 60.2 |
| 6 (CH2) | 29.3 |
| 7 (CH2) | 24.7 |
| 8 (CH) | 56.8 |
| 9 (C) | 73.3 |
| 10 (C) | 101.3 |
| 11 (CH2) | 38.5 |
| 12 (CH2) | 39.6 |
| 13 (C) | 46.3 |
| 14 (C) | 87.6 |
| 15 (CH) | 77.2 |
| 16 (CH2) | 36 |
| 17 (CH) | 54.7 |
| 18 (CH3) | 18.2 |
| 19 (CH2) | 47 |
| 20 (CH) | 38.3 |
| 21 (CH3) | 18.2 |
| 22 (CH) | 73.8 |
| 23 (CH) | 83.6 |
| 24 (CH) | 149.9 |
| 25 (C) | 131.3 |
| 26 (C) | 177 |
| 27 (CH3) | 10.6 |
| 28 (CH3) | 23.5 |
| 29 (CH3) | 30 |
