Spektraris NMR
2α,3β,19α-Trihydroxyolean-12-ene-24, 28-dioic acid
Common Name: 2α,3β,19α-Trihydroxyolean-12-ene-24, 28-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=BBJQJXRZAZWPBL-AOVBODNOSA-N
Formula: C30H46O7
Molecular Weight: 518.683186
Exact Mass: 518.324354
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhang, Z., ElSohly, H.N., Li, X.C., Khan, S.I., Broedel, S.E., Jr., Raulli, R.E., Cihlar, R.L., Walker, L.A. J Nat Prod (2003) 66, 39-41
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) | 48.9 |
| 2 (CH) | 70.3 |
| 3 (CH) | 85.7 |
| 4 (C) | 51.2 |
| 5 (CH) | 58.9 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 35 |
| 8 (C) | 41.1 |
| 9 (CH) | 49.1 |
| 10 (C) | 40.2 |
| 11 (CH2) | 25.5 |
| 12 (CH) | 124.6 |
| 13 (C) | 146.4 |
| 14 (C) | 43.2 |
| 15 (CH2) | 30.2 |
| 16 (CH2) | 35.1 |
| 17 (C) | 48.2 |
| 18 (CH) | 46.7 |
| 19 (CH) | 83.9 |
| 20 (C) | 36.5 |
| 21 (CH2) | 30.6 |
| 22 (CH2) | 29.7 |
| 23 (CH3) | 26.4 |
| 24 (C) | 184.8 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 25.4 |
| 28 (C) | 187 |
| 29 (CH3) | 29.4 |
| 30 (CH3) | 26 |
