Spektraris NMR
3alpha-Hydroxy-2-oxofriedelane-29-oic acid
Common Name: 3alpha-Hydroxy-2-oxofriedelane-29-oic acid
Synonyms: 3alpha-Hydroxy-2-oxofriedelane-29-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18-23(32)19(31)16-21-27(18,4)9-8-20-28(21,5)13-15-30(7)22-17-26(3,24(33)34)11-10-25(22,2)12-14-29(20,30)6/h18,20-23,32H,8-17H2,1-7H3,(H,33,34)/t18-,20-,21+,22+,23-,25+,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=SWVZUKMWVDSFBK-GNIYPKQQSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Orabi, K.Y., Al-Qasoumi, S.I., El-Olemy, M.M., Mossa, J.S., Muhammad, I. Phytochemistry (2001) 58, 475-80
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 36.5 |
| 2 (C) | 212.3 |
| 3 (CH) | 77.3 |
| 4 (CH) | 54.8 |
| 5 (C) | 39.6 |
| 6 (CH2) | 40.9 |
| 7 (CH2) | 17.9 |
| 8 (CH) | 51 |
| 9 (C) | 38.3 |
| 10 (CH) | 60.9 |
| 11 (CH2) | 35 |
| 12 (CH2) | 29.7 |
| 13 (C) | 38 |
| 14 (C) | 39.5 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 36.5 |
| 17 (C) | 30.5 |
| 18 (CH) | 44.7 |
| 19 (CH2) | 30.6 |
| 20 (C) | 40.6 |
| 21 (CH2) | 29.7 |
| 22 (CH2) | 37.1 |
| 23 (CH3) | 11.2 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 18.1 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 16.6 |
| 28 (CH3) | 32.2 |
| 29 (C) | 182.4 |
| 30 (CH3) | 32.1 |
