Spektraris NMR
Micrandilactone B
Common Name: Micrandilactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O8/c1-14-10-17(34-24(14)32)23(31)15(2)16-11-21-29(36-21)19-7-6-18-25(3,4)35-20-12-22(30)37-28(18,20)13-27(19,33)9-8-26(16,29)5/h10,15-21,23,31,33H,6-9,11-13H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,23-,26+,27-,28+,29-/m1/s1
InChIKey: InChIKey=NOPJKUNZSJEAIR-QGBLICNISA-N
Formula: C29H40O8
Molecular Weight: 516.624211
Exact Mass: 516.272318
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) | 82.1 |
| 2 (CH2) | 36.5 |
| 3 (C) | 174.9 |
| 4 (C) | 84.8 |
| 5 (CH) | 59.2 |
| 6 (CH2) | 27 |
| 7 (CH2) | 24 |
| 8 (CH) | 44.7 |
| 9 (C) | 73.8 |
| 10 (C) | 99.3 |
| 11 (CH2) | 38.5 |
| 12 (CH2) | 31.4 |
| 13 (C) | 41.7 |
| 14 (C) | 72.7 |
| 15 (CH) | 54.7 |
| 16 (CH2) | 31.9 |
| 17 (CH) | 45.9 |
| 18 (CH3) | 15.3 |
| 19 (CH2) | 46.3 |
| 20 (CH) | 39.9 |
| 21 (CH3) | 14.6 |
| 22 (CH) | 72.8 |
| 23 (CH) | 82 |
| 24 (CH) | 148.8 |
| 25 (C) | 130.2 |
| 26 (C) | 175.4 |
| 27 (CH3) | 10.6 |
| 28 (CH3) | 23 |
| 29 (CH3) | 29.4 |
