ent-11b,17-Diacetoxy-16a-hydroxyatis-13-ene

ent-11b,17-Diacetoxy-16a-hydroxyatis-13-ene

Common Name: ent-11b,17-Diacetoxy-16a-hydroxyatis-13-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H36O5/c1-15(25)28-14-24(27)13-23-11-7-17(24)19(29-16(2)26)20(23)22(5)10-6-9-21(3,4)18(22)8-12-23/h7,11,17-20,27H,6,8-10,12-14H2,1-5H3/t17-,18+,19+,20-,22+,23+,24+/m0/s1

InChIKey: InChIKey=NFPZTYDAHYWSIF-GVNCIOMKSA-N

Formula: C24H36O5

Molecular Weight: 404.540553

Exact Mass: 404.256274

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Parra, A., Arias, J.M. J Nat Prod (1997) 60, 86-92

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) 40.6
2 (CH2) 18.3
3 (CH2) 41.9
4 (C) 33.2
5 (CH) 56
6 (CH2) 19.5
7 (CH2) 36.5
8 (C) 39.9
9 (CH) 58.9
10 (C) 38.8
11 (CH) 73
12 (CH) 44.9
13 (CH) 127.5
14 (CH) 139.8
15 (CH2) 48.3
16 (C) 74.2
17 (CH2) 70.3
18 (CH3) 34
19 (CH3) 22.1
20 (CH3) 17.2
11a (C) 171
11b (CH3) 21
17a (C) 170.6
17b (CH3) 21.8