20a,21a-epoxy-taraxastane-3b,22a-diol

20a,21a-epoxy-taraxastane-3b,22a-diol

Common Name: 20a,21a-epoxy-taraxastane-3b,22a-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O3/c1-17-22-18-9-10-20-26(4)13-12-21(31)25(2,3)19(26)11-14-29(20,7)28(18,6)16-15-27(22,5)23(32)24-30(17,8)33-24/h17-24,31-32H,9-16H2,1-8H3/t17-,18+,19-,20+,21-,22-,23-,24+,26-,27+,28+,29+,30-/m0/s1

InChIKey: InChIKey=KLMFGFZBRNYAJW-PNANNSDTSA-N

Formula: C30H50O3

Molecular Weight: 458.717329

Exact Mass: 458.375995

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Dai, J., Zhao, C., Zhang, Q., Liu, Z.L., Zheng, R., Yang, L. Phytochemistry (2001) 58, 1107-11

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) 38.6
2 (CH2) 27.3
3 (CH) 79
4 (C) 38.8
5 (CH) 55.2
6 (CH2) 18.4
7 (CH2) 34.1
8 (C) 41.2
9 (CH) 49.9
10 (C) 37
11 (CH2) 21.3
12 (CH2) 26.1
13 (CH) 37
14 (C) 43.3
15 (CH2) 27.4
16 (CH2) 34
17 (C) 35.9
18 (CH) 37.4
19 (CH) 40.3
20 (C) 70.5
21 (CH) 60.8
22 (CH) 65.7
23 (CH3) 27.9
24 (CH3) 15.3
25 (CH3) 16.1
26 (CH3) 15.9
27 (CH3) 15.5
28 (CH3) 17.7
29 (CH3) 17
30 (CH3) 27.1