Spektraris NMR
3a-Hydroxy-olean-12-en-27,29-dioic acid
Common Name: 3a-Hydroxy-olean-12-en-27,29-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)20-9-12-29(6)21(28(20,5)11-10-22(25)31)8-7-18-19-17-27(4,23(32)33)14-13-26(19,3)15-16-30(18,29)24(34)35/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20-,21+,22+,26+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=QEZXREBSGZAJJO-NDELSYEPSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen T.K., Aics D.C., Baenziger N.C., Wiemer D.F. J Org Chem (1983) 48, 3525-31
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) | 36.2 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 75.8 |
| 4 (C) | 39.9 |
| 5 (CH) | 48.5 |
| 6 (CH2) | 18 |
| 7 (CH2) | 32.7 |
| 8 (C) | 37 |
| 9 (CH) | 47.9 |
| 10 (C) | 37 |
| 11 (CH2) | 22.5 |
| 12 (CH) | 126.8 |
| 13 (C) | 135.8 |
| 14 (C) | 55.5 |
| 15 (CH2) | 21.7 |
| 16 (CH2) | 25.2 |
| 17 (C) | 32.7 |
| 18 (CH) | 46.4 |
| 19 (CH2) | 38.1 |
| 20 (C) | 42 |
| 21 (CH2) | 27.2 |
| 22 (CH2) | 35.1 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 22.3 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17.9 |
| 27 (C) | 185.5 |
| 28 (CH3) | 27.8 |
| 29 (C) | 183 |
| 30 (CH3) | 19.3 |
