Spektraris NMR
3beta,6beta-Dihydroxy-11-oxo-5alpha-oleana-12-ene-28-oic acid
Common Name: 3beta,6beta-Dihydroxy-11-oxo-5alpha-oleana-12-ene-28-oic acid
Synonyms: 3beta,6beta-Dihydroxy-11-oxo-5alpha-oleana-12-ene-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)10-12-30(24(34)35)13-11-28(6)17(18(30)15-25)14-19(31)23-27(5)9-8-21(33)26(3,4)22(27)20(32)16-29(23,28)7/h14,18,20-23,32-33H,8-13,15-16H2,1-7H3,(H,34,35)/t18-,20+,21-,22-,23+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=NWYZSLIMGFTIHU-RZBIXZALSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, F., Hua, H., Pei, Y., Chen, D., Jing, Y. J Nat Prod (2006) 69, 807-10
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) | 41.8 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 78.5 |
| 4 (C) | 40.9 |
| 5 (CH) | 56 |
| 6 (CH) | 66.6 |
| 7 (CH2) | 41.1 |
| 8 (C) | 44.8 |
| 9 (CH) | 62.8 |
| 10 (C) | 37.8 |
| 11 (C) | 200.1 |
| 12 (CH) | 128.6 |
| 13 (C) | 169.2 |
| 14 (C) | 44.5 |
| 15 (CH2) | 28.5 |
| 16 (CH2) | 23.4 |
| 17 (C) | 46.2 |
| 18 (CH) | 42.4 |
| 19 (CH2) | 44.7 |
| 20 (C) | 30.9 |
| 21 (CH2) | 32.3 |
| 22 (CH2) | 34 |
| 23 (CH3) | 28.5 |
| 24 (CH3) | 18 |
| 25 (CH3) | 18.3 |
| 26 (CH3) | 20.1 |
| 27 (CH3) | 23.8 |
| 28 (C) | 179.7 |
| 29 (CH3) | 32.9 |
| 30 (CH3) | 23.4 |
