3b,19b,21b,23-Tetrahydroxytaraxast-12-en-28-oic acid

3b,19b,21b,23-Tetrahydroxytaraxast-12-en-28-oic acid

Common Name: 3b,19b,21b,23-Tetrahydroxytaraxast-12-en-28-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O6/c1-17-19(32)15-30(24(34)35)14-13-27(4)18(23(30)29(17,6)36)7-8-21-25(2)11-10-22(33)26(3,16-31)20(25)9-12-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19+,20-,21-,22+,23-,25+,26+,27-,28-,29-,30-/m1/s1

InChIKey: InChIKey=RTCXNXLMBFLHEH-FVIGYUKTSA-N

Formula: C30H48O6

Molecular Weight: 504.699663

Exact Mass: 504.345089

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Fullas, F., Wani, M.C., Wall, M.E., Tucker, J.C., Beecher, C.W.W., Kinghorn, A.D. Phytochemistry (1996) 43, 1303-5

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxastanes; 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
2 (CH2) 27.6
3 (CH) 73.6
4 (C) 42.9
5 (CH) 48.8
6 (CH2) 18.9
7 (CH2) 33.4
8 (C) 40.5
9 (CH) 47.9
10 (C) 37.3
11 (CH2) 24.2
12 (CH) 128.6
13 (C) 140.2
14 (C) 42.3
15 (CH2) 29.6
16 (CH2) 27.4
17 (C) 49.2
18 (CH) 54.6
19 (C) 74.9
20 (CH) 50.6
21 (CH) 67.6
22 (CH2) 48.6
23 (CH2) 68
24 (CH3) 13.2
25 (CH3) 16.1
26 (CH3) 17.4
27 (CH3) 24.7
28 (C) 180.4
29 (CH3) 27.8
30 (CH3) 11.5