3b,19a-Dihydroxy-ursan-28-oic acid

3b,19a-Dihydroxy-ursan-28-oic acid

Common Name: 3b,19a-Dihydroxy-ursan-28-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h18-23,31,34H,8-17H2,1-7H3,(H,32,33)/t18-,19?,20+,21-,22+,23-,26+,27-,28-,29-,30+/m1/s1

InChIKey: InChIKey=PEMTYRITAVXZON-WMUWFGTJSA-N

Formula: C30H50O4

Molecular Weight: 474.716734

Exact Mass: 474.37091

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Misra, L., Laatsch, H. Phytochemistry (2000) 54, 969-74

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) 38.1
2 (CH2) 26.95
3 (CH) 78.77
4 (C) 38.82
5 (CH) 54.53
6 (CH2) 17.54
7 (CH2) 34.25
8 (C) 41.25
9 (CH) 52.72
10 (C) 36.42
11 (CH2) 21.22
12 (CH2) 31.42
13 (CH) 50.65
14 (C) 40.48
15 (CH2) 29.68
16 (CH2) 26.66
17 (C) 43.84
18 (CH) 57.06
19 (C) 87.54
20 (CH) 49.56
21 (CH2) 31.05
22 (CH2) 37.72
23 (CH3) 27.74
24 (CH3) 18.82
25 (CH3) 15.07
26 (CH3) 17.16
27 (CH3) 33.17
28 (C) 179.4
29 (CH3) 23.57
30 (CH3) 20.02