Spektraris NMR
3b,4a-4-Hydroxy-3.23-(isopropylidenedioxy)-24.30-dinorolean-12,20(29)-dien-28-oic Acid
Common Name: 3b,4a-4-Hydroxy-3.23-(isopropylidenedioxy)-24.30-dinorolean-12,20(29)-dien-28-oic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O5/c1-19-9-14-30(25(32)33)16-15-28(5)20(21(30)17-19)7-8-22-27(4)12-11-24-31(34,18-35-26(2,3)36-24)23(27)10-13-29(22,28)6/h7,21-24,34H,1,8-18H2,2-6H3,(H,32,33)/t21-,22+,23+,24-,27+,28+,29+,30-,31+/m0/s1
InChIKey: InChIKey=FKAYNRSZPIPSRC-WVRQITKCSA-N
Formula: C31H46O5
Molecular Weight: 498.695112
Exact Mass: 498.334525
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) | 38.2 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 75.3 |
| 4 (C) | 68.2 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 22.9 |
| 7 (CH2) | 32.2 |
| 8 (C) | 39.5 |
| 9 (CH) | 47.1 |
| 10 (C) | 37.4 |
| 11 (CH2) | 23.3 |
| 12 (CH) | 123.2 |
| 13 (C) | 142.9 |
| 14 (C) | 41.9 |
| 15 (CH2) | 29.9 |
| 16 (CH2) | 23.3 |
| 17 (C) | 46.8 |
| 18 (CH) | 46.8 |
| 19 (CH2) | 41.4 |
| 20 (C) | 147.8 |
| 21 (CH2) | 37.2 |
| 22 (CH2) | 29.7 |
| 23 (CH2) | 69.5 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 26.1 |
| 28 (C) | 180.6 |
| 29 (CH2) | 107.2 |
| 3a (C) | 99.1 |
| 3aa (CH3) | 29.8 |
| 3ab (CH3) | 18.5 |
