Spektraris NMR
3b-Hydroxy-30-norolean-12:19-dien-28-oic acid methyl ester
Common Name: 3b-Hydroxy-30-norolean-12:19-dien-28-oic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-19-10-15-30(25(32)33-7)17-16-28(5)20(21(30)18-19)8-9-23-27(4)13-12-24(31)26(2,3)22(27)11-14-29(23,28)6/h8,18,21-24,31H,9-17H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=JTTNIHVXJYUFKW-ACEGBUHXSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmad V.U., Bano N., Bano S. Phytochemistry (1984) 23, 2613
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) | 38.8 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.5 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.5 |
| 8 (C) | 39 |
| 9 (CH) | 47.7 |
| 10 (C) | 37.1 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 122.7 |
| 13 (C) | 142.3 |
| 14 (C) | 42.7 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 26.2 |
| 17 (C) | 45.6 |
| 18 (CH) | 45.5 |
| 19 (CH) | 129.2 |
| 20 (C) | 129.3 |
| 21 (CH2) | 32.4 |
| 22 (CH2) | 37.1 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.7 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 23.1 |
| 28 (C) | 178 |
| 29 (CH3) | 23.1 |
| 28a (CH3) | 51.6 |
