3-Oxo-23,24-diacethoxy-19a-hydroxyurs-12-en-28-oic acid

3-Oxo-23,24-diacethoxy-19a-hydroxyurs-12-en-28-oic acid

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)

Carbon NMR Peaks

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