Alisol B 23-acetate

Alisol B 23-acetate

Common Name: Alisol B 23-acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,10-17H2,1-9H3/t18-,22+,23+,24+,26-,27-,30+,31+,32+/m1/s1

InChIKey: InChIKey=NLOAQXKIIGTTRE-VDKHDZHSSA-N

Formula: C32H50O5

Molecular Weight: 514.737611

Exact Mass: 514.365825

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Wang, C., Zhang, J.X., Shen, X.L., Wan, C.K., Tse, A.K.W., Fong, W.F. Biochem Pharmacol (2004) 68, 843-55

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) 30.9
2 (CH2) 36.7
3 (C) 220.08
4 (C) 46.9
5 (CH) 48.42
6 (CH2) 19.98
7 (CH2) 34.13
8 (C) 40.71
9 (CH) 49.92
10 (C) 36.91
11 (CH) 70.17
12 (CH2) 34.38
13 (C) 138.08
14 (C) 57
15 (CH2) 30.62
16 (CH2) 29.13
17 (C) 134.1
18 (CH3) 23.1
19 (CH3) 25.6
20 (CH) 27.8
21 (CH3) 20
22 (CH2) 33.7
23 (CH) 71.4
24 (CH) 65.04
25 (C) 58.42
26 (CH3) 19.36
27 (CH3) 24.66
28 (CH3) 29.52
29 (CH3) 20.06
30 (CH3) 23.79
16a (C) 169.93
16b (CH3) 21.15