ent-17-Acetoxy-11β,16α-dihydroxyatis-13-ene

ent-17-Acetoxy-11β,16α-dihydroxyatis-13-ene

Common Name: ent-17-Acetoxy-11β,16α-dihydroxyatis-13-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H34O4/c1-14(23)26-13-22(25)12-21-10-6-15(22)17(24)18(21)20(4)9-5-8-19(2,3)16(20)7-11-21/h6,10,15-18,24-25H,5,7-9,11-13H2,1-4H3/t15-,16+,17+,18-,20+,21+,22+/m0/s1

InChIKey: InChIKey=VASGPNJHIZGLTH-BJJKLVEISA-N

Formula: C22H34O4

Molecular Weight: 362.503795

Exact Mass: 362.24571

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) 41.6
2 (CH2) 19.8
3 (CH2) 42
4 (C) 33.2
5 (CH) 56
6 (CH2) 18.5
7 (CH2) 36.7
8 (C) 40.2
9 (CH) 60.2
10 (C) 39
11 (CH) 71.5
12 (CH) 48.5
13 (CH) 127.3
14 (CH) 142.8
15 (CH2) 49.1
16 (C) 74.5
17 (CH2) 70.8
18 (CH3) 34.2
19 (CH3) 22.3
20 (CH3) 18
17a (C) 171.4
17b (CH3) 21