Spektraris NMR
(3b,4b.11a.12a.13b)-11,12-Epoxy-4,13-dihydroxy-3.23-(isopropylidenedioxy)-24.30-dinorolean-20(29)-en-28-oic Acid 28,13-Lactone
Common Name: (3b,4b.11a.12a.13b)-11,12-Epoxy-4,13-dihydroxy-3.23-(isopropylidenedioxy)-24.30-dinorolean-20(29)-en-28-oic Acid 28,13-Lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O6/c1-17-7-12-29-14-13-28(6)27(5)11-8-18-26(4,10-9-20-30(18,33)16-34-25(2,3)36-20)22(27)21-23(35-21)31(28,19(29)15-17)37-24(29)32/h18-23,33H,1,7-16H2,2-6H3/t18-,19-,20+,21+,22-,23+,26+,27-,28+,29+,30-,31-/m1/s1
InChIKey: InChIKey=MUKGMGIRLLFCSI-HNLHEYJOSA-N
Formula: C31H44O6
Molecular Weight: 512.678636
Exact Mass: 512.313789
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, S.H., Yang, S.M., Wu, D.G., Cheng, Y.W., Peng, Q. Helv Chim Acta (2005) 88, 259-65
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.1 |
| 2 (CH2) | 22.8 |
| 3 (CH) | 75.4 |
| 4 (C) | 68.3 |
| 5 (CH) | 49 |
| 6 (CH2) | 16.8 |
| 7 (CH2) | 31 |
| 8 (C) | 41.1 |
| 9 (CH) | 50.4 |
| 10 (C) | 37 |
| 11 (CH) | 52.8 |
| 12 (CH) | 57.3 |
| 13 (C) | 87.1 |
| 14 (C) | 41.8 |
| 15 (CH2) | 27 |
| 16 (CH2) | 21.9 |
| 17 (C) | 44.1 |
| 18 (CH) | 54.9 |
| 19 (CH2) | 34.7 |
| 20 (C) | 146.4 |
| 21 (CH2) | 32.1 |
| 22 (CH2) | 30.2 |
| 23 (CH2) | 69.4 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 18.7 |
| 27 (CH3) | 20.4 |
| 28 (C) | 178.5 |
| 29 (CH2) | 110.3 |
| 3a (C) | 99.3 |
| 3aa (CH3) | 30 |
| 3ab (CH3) | 19.2 |
