Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H58O7/c1-20(2)15-29(39)42-28-12-14-33(6)25-11-13-32(5)22(21-16-23(37)30(41-18-21)34(7,40)19-36)9-10-24(32)35(25,8)27(38)17-26(33)31(28,3)4/h10,20-23,25-28,30,36-38,40H,9,11-19H2,1-8H3/t21-,22+,23-,25-,26+,27-,28-,30-,32+,33-,34?,35+/m1/s1

InChIKey: InChIKey=FFRICCBARMAYIH-NJESKMAPSA-N

Formula: C35H58O7

Molecular Weight: 590.832155

Exact Mass: 590.418254

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) 33.3
2 (CH2) 22.8
3 (CH) 77.8
4 (C) 36.2
5 (CH) 41.9
6 (CH2) 23.7
7 (CH) 72.4
8 (C) 44.5
9 (CH) 41.7
10 (C) 37.5
11 (CH2) 16.4
12 (CH2) 34.2
13 (C) 46.7
14 (C) 162.4
15 (CH) 119.8
16 (CH2) 34.9
17 (CH) 52.1
18 (CH3) 19.2
19 (CH3) 15.2
20 (CH) 35.7
21 (CH2) 70
22 (CH2) 36.1
23 (CH) 63.2
24 (CH) 83.2
25 (C) 74.8
26 (CH2) 67.9
27 (CH3) 20.4
28 (CH3) 27.8
29 (CH3) 21.8
30 (CH3) 27.9
3a (C) 173
3b (CH2) 43.8
3c (CH) 25.8
3d (CH3) 22.5
3ca (CH3) 22.5