Common Name: 3-Oxo-23,24-diacethoxy-19a-hydroxyurs-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H50O8/c1-20-10-15-33(28(38)39)17-16-30(5)23(27(33)32(20,7)40)8-9-24-29(4)13-12-26(37)34(18-41-21(2)35,19-42-22(3)36)25(29)11-14-31(24,30)6/h8,20,24-25,27,40H,9-19H2,1-7H3,(H,38,39)/t20-,24-,25-,27?,29-,30-,31-,32-,33+/m1/s1
InChIKey: InChIKey=GKPJBSJUMSZLAE-UHOGQXPSSA-N
Formula: C34H50O8
Molecular Weight: 586.757298
Exact Mass: 586.350569
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sakakibara J., Kaiya T., Fukuda H. Phytochemistry (1984) 23, 627
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)
Position | PPM |
---|---|
1 (CH2) | 38.5 |
2 (CH2) | 35.2 |
3 (C) | 209.9 |
4 (C) | 54.5 |
5 (CH) | 49.8 |
6 (CH2) | 19.4 |
7 (CH2) | 32.5 |
8 (C) | 39.9 |
9 (CH) | 46.7 |
10 (C) | 36.4 |
11 (CH2) | 23.9 |
12 (CH) | 128.6 |
13 (C) | 138.2 |
14 (C) | 41.2 |
15 (CH2) | 28.2 |
16 (CH2) | 25.3 |
17 (C) | 47.8 |
18 (CH) | 52.9 |
19 (C) | 73.1 |
20 (CH) | 41.1 |
21 (CH2) | 25.9 |
22 (CH2) | 37.4 |
23 (CH2) | 63.7 |
24 (CH2) | 63.2 |
25 (CH3) | 15.2 |
26 (CH3) | 16.6 |
27 (CH3) | 24.3 |
28 (C) | 184 |
29 (CH3) | 27.4 |
30 (CH3) | 16.1 |
23a (C) | 170.5 |
23b (CH3) | 21.2 |
24a (C) | 170.5 |
24b (CH3) | 21.2 |