Spektraris NMR
2a,3b-Dihydroxy-olean-12-ene-22,29-lactone
Common Name: 2a,3b-Dihydroxy-olean-12-ene-22,29-lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-25(2)20-10-11-30(7)21(28(20,5)15-19(31)23(25)32)9-8-17-18-14-26(3)16-22(34-24(26)33)27(18,4)12-13-29(17,30)6/h8,18-23,31-32H,9-16H2,1-7H3/t18-,19+,20-,21+,22-,23-,26-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=RMZYLHSFNGKWCT-XBKDIJSYSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duan, H.Q., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Tori, M., Takaoka, S., Jia, Y.F., Li, D. Tetrahedron (2001) 57, 8413-24
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) | 46.6 |
| 2 (CH) | 69 |
| 3 (CH) | 84 |
| 4 (C) | 39.3 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 33.1 |
| 8 (C) | 39.4 |
| 9 (CH) | 47.6 |
| 10 (C) | 38.3 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 124.5 |
| 13 (C) | 140.5 |
| 14 (C) | 42.6 |
| 15 (CH2) | 24.4 |
| 16 (CH2) | 25.3 |
| 17 (C) | 35.3 |
| 18 (CH) | 43.5 |
| 19 (CH2) | 33.9 |
| 20 (C) | 39.6 |
| 21 (CH2) | 39.9 |
| 22 (CH) | 83.2 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 17 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 24.1 |
| 28 (CH3) | 25 |
| 29 (C) | 182.5 |
| 30 (CH3) | 21.1 |
