Spektraris NMR
3b-[(a-L-arabinopyranosyl)oxy]urs-12,18-dien-28-oic acid
![3b-[(a-L-arabinopyranosyl)oxy]urs-12,18-dien-28-oic acid](/nmr/static/nmr/svg/3819.svg)
Common Name: 3b-[(a-L-arabinopyranosyl)oxy]urs-12,18-dien-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,22-,23+,24-,25+,27-,28+,29+,32+,33-,34-,35+/m1/s1
InChIKey: InChIKey=GCGPCEUHJCFZIV-OKEBZPTDSA-N
Formula: C35H54O7
Molecular Weight: 586.800392
Exact Mass: 586.386954
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) | 39.3 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 88.7 |
| 4 (C) | 39.6 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 35.6 |
| 8 (C) | 39.4 |
| 9 (CH) | 48.2 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 125.9 |
| 13 (C) | 139.5 |
| 14 (C) | 45 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 26.8 |
| 17 (C) | 49.8 |
| 18 (C) | 123.9 |
| 19 (C) | 134.7 |
| 20 (CH) | 34.8 |
| 21 (CH2) | 31.9 |
| 22 (CH2) | 35.1 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 17 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 18.3 |
| 27 (CH3) | 22.1 |
| 28 (C) | 178.7 |
| 29 (CH3) | 19.6 |
| 30 (CH3) | 18.9 |
| 1' (CH) | 107.5 |
| 2' (CH) | 72.9 |
| 3' (CH) | 74.6 |
| 4' (CH) | 69.5 |
| 5' (CH2) | 66.7 |
