Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H52O5/c1-9-36-27-19(18-23(37-27)26(34)29(4,5)35)20-12-16-32(8)22-10-11-24-28(2,3)25(33)14-15-30(24,6)21(22)13-17-31(20,32)7/h10,19-21,23-24,26-27,34-35H,9,11-18H2,1-8H3/t19?,20-,21-,23+,24-,26+,27+,30+,31-,32+/m0/s1

InChIKey: InChIKey=IMIFPTNQMZAQRL-HXLIQHQMSA-N

Formula: C32H52O5

Molecular Weight: 516.753493

Exact Mass: 516.381475

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hisham, A., Bai, A., JayaKumar, G., Nair, M.S., Fujimoto, Y. Phytochemistry (2001) 56, 331-4

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) 34.9
3 (C) 216.9
4 (C) 47.9
5 (CH) 52.4
6 (CH2) 24.3
7 (CH) 113.1
8 (C) 145.1
9 (CH) 48.3
10 (C) 35.1
11 (CH2) 17.8
12 (CH2) 31.6
13 (C) 43.7
14 (C) 51
15 (CH2) 33.8
16 (CH2) 27.5
17 (CH) 50.4
18 (CH3) 22.3
19 (CH3) 12.7
20 (CH) 47.9
21 (CH) 107.8
22 (CH2) 34.4
23 (CH) 76.8
24 (CH) 75.4
25 (C) 73.1
26 (CH3) 26.4
27 (CH3) 26.5
28 (CH3) 24.5
29 (CH3) 21.6
30 (CH3) 27.29
31 (CH2) 65
32 (CH3) 15.4