16b-hydroxyalisol B 23-monoacetate

16b-hydroxyalisol B 23-monoacetate

Common Name: 16b-hydroxyalisol B 23-monoacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H50O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20-23,26-27,34-35H,10-16H2,1-9H3/t17-,20+,21+,22+,23+,26+,27?,30+,31+,32+/m1/s1

InChIKey: InChIKey=QXTFJHAHEZDLDP-BICFAJCASA-N

Formula: C32H50O6

Molecular Weight: 530.737016

Exact Mass: 530.360739

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Geng, P.W., Fukuyama, Y., Yamada, T., Wang, R., Bao, J.X., Nakagawa, K. Phytochemistry (1988) 27, 1161-4

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Protostanes; 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) 34.3
2 (CH2) 33.6
3 (C) 220.5
4 (C) 46.9
5 (CH) 48.4
6 (CH2) 20
7 (CH2) 30.8
8 (C) 40.2
9 (CH) 49.2
10 (C) 36.8
11 (CH) 69.9
12 (CH2) 34.5
13 (C) 135.9
14 (C) 54.8
15 (CH2) 43.6
16 (CH) 77.3
17 (C) 143
18 (CH3) 24.1
19 (CH3) 23.7
20 (CH) 27.7
21 (CH3) 25.5
22 (CH2) 38.1
23 (CH) 72.2
24 (CH) 65.4
25 (C) 58.8
26 (CH3) 24.7
27 (CH3) 19.6
28 (CH3) 19.7
29 (CH3) 29.5
30 (CH3) 21.3
23a (C) 170.3
23b (CH3) 19.9