Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H48O6/c1-28(2)23-17-25(34)32(7)21-11-10-19(18-16-20(38-27(18)36-8)26(35)29(3,4)37-9)30(21,5)14-12-22(32)31(23,6)15-13-24(28)33/h11,13,15,18-20,22-23,26-27,35H,10,12,14,16-17H2,1-9H3/t18-,19-,20+,22+,23-,26+,27+,30-,31+,32-/m0/s1

InChIKey: InChIKey=WSFFRAAUFVXEMP-MTYLSQAISA-N

Formula: C32H48O6

Molecular Weight: 528.721134

Exact Mass: 528.345089

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) 156.5
2 (CH) 126
3 (C) 203.5
4 (C) 44.7
5 (CH) 52.5
6 (CH2) 36.2
7 (C) 209.5
8 (C) 52.6
9 (CH) 44.8
10 (C) 39.6
11 (CH2) 17.3
12 (CH2) 33.8
13 (C) 47.4
14 (C) 152.8
15 (CH) 126
16 (CH2) 35.5
17 (CH) 57.9
18 (CH3) 20.1
19 (CH3) 18.4
20 (CH) 44.7
21 (CH) 109.1
22 (CH2) 35.3
23 (CH) 75.1
24 (CH) 76.3
25 (C) 77.2
26 (CH3) 21.2
27 (CH3) 21.6
28 (CH3) 26.8
29 (CH3) 21
30 (CH3) 27.9
21a (CH3) 55.5
25a (CH3) 49.2