Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H58O7/c1-20(2)17-29(38)43-28-14-16-35(8)25-13-15-34(7)22(21-18-23(42-31(21)41-10)30(39)33(5,6)40)11-12-24(34)36(25,9)27(37)19-26(35)32(28,3)4/h12,17,21-23,25-28,30-31,37,39-40H,11,13-16,18-19H2,1-10H3/t21-,22-,23+,25+,26-,27+,28+,30?,31+,34-,35+,36-/m0/s1

InChIKey: InChIKey=CMOPOGKWXJAWOD-FKCDFRFUSA-N

Formula: C36H58O7

Molecular Weight: 602.842891

Exact Mass: 602.418254

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mitsui, K., Saito, H., Yamamura, R., Fukaya, H., Hitotsuyanagi, Y., Takeya, K. Chem Pharm Bull (2007) 55, 1442-7

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apotirucallanes; 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) 33.4
2 (CH2) 22.8
3 (CH) 77.1
4 (C) 36.3
5 (CH) 41.9
6 (CH2) 23.6
7 (CH) 72.2
8 (C) 44.5
9 (CH) 41.7
10 (C) 37.6
11 (CH2) 16.3
12 (CH2) 32.8
13 (C) 47
14 (C) 162.5
15 (CH) 119.3
16 (CH2) 34.7
17 (CH) 57.5
18 (CH3) 19.4
19 (CH3) 15.3
20 (CH) 45.9
21 (CH) 109.6
22 (CH2) 33.8
23 (CH) 77
24 (CH) 75.5
25 (C) 73.1
26 (CH3) 26.4
27 (CH3) 26.5
28 (CH3) 27.7
29 (CH3) 21.8
30 (CH3) 27.8
3a (C) 166.5
3b (CH) 117.1
3c (C) 155.7
3d (CH3) 27.4
3ca (CH3) 20.3
21a (CH3) 55.6