Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H54O8/c1-20(37)42-29-19-27-32(3,4)28(39)15-17-35(27,8)26-14-16-34(7)23(12-13-25(34)36(26,29)9)22-18-24(44-31(22)40-10)30(43-21(2)38)33(5,6)41-11/h13,15,17,22-24,26-27,29-31H,12,14,16,18-19H2,1-11H3/t22-,23-,24+,26+,27-,29+,30+,31+,34-,35+,36-/m0/s1

InChIKey: InChIKey=ZAGNFKFHJJKFGA-XNAUHUQPSA-N

Formula: C36H54O8

Molecular Weight: 614.810532

Exact Mass: 614.381869

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mulholland, D.A., Monkhe, T.V., Taylor, D.A.H., Rajab, M.S. Phytochemistry (1999) 52, 123-6

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 (CH) 158.2
2 (CH) 125.5
3 (C) 204.6
4 (C) 42.7
5 (CH) 46.2
6 (CH2) 23.8
7 (CH) 74.4
8 (C) 44.2
9 (CH) 38.3
10 (C) 39.9
11 (CH2) 16.5
12 (CH2) 34.8
13 (C) 46.8
14 (C) 159.2
15 (CH) 118.6
16 (CH2) 35.1
17 (CH) 57.8
18 (CH3) 22.6
19 (CH3) 19
20 (CH) 46.1
21 (CH) 108.4
22 (CH2) 33.2
23 (CH) 74.9
24 (CH) 75.4
25 (C) 76.2
26 (CH3) 21.5
27 (CH3) 21.3
28 (CH3) 27
29 (CH3) 20
30 (CH3) 27.3
7a (C) 170.8
7b (CH3) 21.2
21a (CH3) 55.4
24a (C) 170.2
24b (CH3) 21.1
25a (CH3) 49.5