Spektraris NMR
Olean-12-ene-3β,6α-diol
Common Name: Olean-12-ene-3β,6α-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=JYNBNJRQZZSLPN-BAPIAYCRSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, K., Mao, J., Tai, T., Pan, Y. Bioorg Med Chem Lett (2006) 16, 2274-7
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) | 38.6 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 79 |
| 4 (C) | 39.3 |
| 5 (CH) | 60.5 |
| 6 (CH) | 69.2 |
| 7 (CH2) | 45.2 |
| 8 (C) | 42.1 |
| 9 (CH) | 47.4 |
| 10 (C) | 39.3 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 121.9 |
| 13 (C) | 145.1 |
| 14 (C) | 41.5 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 27 |
| 17 (C) | 32.7 |
| 18 (CH) | 47.3 |
| 19 (CH2) | 47 |
| 20 (C) | 31.3 |
| 21 (CH2) | 34.9 |
| 22 (CH2) | 37.3 |
| 23 (CH3) | 31.2 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 26.2 |
| 28 (CH3) | 28.6 |
| 29 (CH3) | 33.6 |
| 30 (CH3) | 23.9 |
