ent-Manool-13-O-b-D-4'-acetylxylopyranoside

ent-Manool-13-O-b-D-4'-acetylxylopyranoside

Common Name: ent-Manool-13-O-b-D-4'-acetylxylopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H44O6/c1-8-26(6,33-24-23(30)22(29)20(16-31-24)32-18(3)28)15-12-19-17(2)10-11-21-25(4,5)13-9-14-27(19,21)7/h8,19-24,29-30H,1-2,9-16H2,3-7H3/t19-,20-,21-,22+,23-,24+,26-,27+/m1/s1

InChIKey: InChIKey=OQIAGWYIHSVUMP-KZULOBMKSA-N

Formula: C27H44O6

Molecular Weight: 464.635692

Exact Mass: 464.313789

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urzua, A., Mendoza, L. Phytochemistry (1995) 39, 1489-91

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 39
2 (CH2) 19.4
3 (CH2) 42.1
4 (C) 33.5
5 (CH) 55.5
6 (CH2) 24.4
7 (CH2) 38.3
8 (C) 148.6
9 (CH) 57.3
10 (C) 39.8
11 (CH2) 17.6
12 (CH2) 40.9
13 (C) 82.3
14 (CH) 141.8
15 (CH2) 116.2
16 (CH3) 22.5
17 (CH2) 106.3
18 (CH3) 33.5
19 (CH3) 21.7
20 (CH3) 14.5
1' (CH) 97.1
2' (CH) 72.1
3' (CH) 71.6
4' (CH) 71.3
5' (CH2) 60.6
4'a (C) 170
4'b (CH3) 20.9