Spektraris NMR
3b-hydroxyurs-12,18-dien-28-oic acid
Common Name: 3b-hydroxyurs-12,18-dien-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18,21-23,31H,9-17H2,1-7H3,(H,32,33)/t18-,21+,22-,23+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=GPQBTLJRTQXVOM-UORVSENQSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mimaki, Y., Fukushima, M., Yokosuka, A., Sashida, Y., Furuya, S., Sakagami, H. Phytochemistry (2001) 57, 773-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 39.4 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.5 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 35.6 |
| 8 (C) | 39.3 |
| 9 (CH) | 48.3 |
| 10 (C) | 37.2 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 125.9 |
| 13 (C) | 139.4 |
| 14 (C) | 45 |
| 15 (CH2) | 29.1 |
| 16 (CH2) | 27 |
| 17 (C) | 49.7 |
| 18 (C) | 123.7 |
| 19 (C) | 134.6 |
| 20 (CH) | 34.8 |
| 21 (CH2) | 31.8 |
| 22 (CH2) | 35.1 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 22.1 |
| 28 (C) | 178.5 |
| 29 (CH3) | 19.6 |
| 30 (CH3) | 18.9 |
