Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H58O8/c1-20(2)16-29(39)44-28-13-15-34(6)25-12-14-33(5)22(21-17-23(43-31(21)42-9)30(40)35(7,41)19-37)10-11-24(33)36(25,8)27(38)18-26(34)32(28,3)4/h11,16,21-23,25-28,30-31,37-38,40-41H,10,12-15,17-19H2,1-9H3/t21-,22-,23+,25+,26-,27+,28+,30?,31-,33-,34+,35?,36-/m0/s1

InChIKey: InChIKey=TXZJJNHNQOUAAI-QPVQVYECSA-N

Formula: C36H58O8

Molecular Weight: 618.842295

Exact Mass: 618.413169

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
4 (C) 36.3
5 (CH) 41.9
6 (CH2) 23.6
7 (CH) 72.2
8 (C) 44.5
9 (CH) 41.6
10 (C) 37.6
11 (CH2) 16.4
12 (CH2) 32.9
13 (C) 46.6
14 (C) 162.1
15 (CH) 119.6
16 (CH2) 34.9
17 (CH) 52.3
18 (CH3) 19.9
19 (CH3) 15.2
20 (CH) 44.6
21 (CH) 104.9
22 (CH2) 31.6
23 (CH) 78
24 (CH) 75.8
25 (C) 74.5
26 (CH2) 67.3
27 (CH3) 20.6
28 (CH3) 27.7
29 (CH3) 21.8
30 (CH3) 27.8
3a (C) 166.5
3b (CH) 117
3c (C) 155.8
3d (CH3) 27.4
3ca (CH3) 20.3
21a (CH3) 55.4