(5alpha,8beta,10beta)-Cassane-13,15-diene-6beta,18-diol 6-acetate

(5alpha,8beta,10beta)-Cassane-13,15-diene-6beta,18-diol 6-acetate

Common Name: (5alpha,8beta,10beta)-Cassane-13,15-diene-6beta,18-diol 6-acetate

Synonyms: (5alpha,8beta,10beta)-Cassane-13,15-diene-6beta,18-diol 6-acetate

CAS Registry Number:

InChI: InChI=1S/C22H34O3/c1-6-16-8-9-18-17(14(16)2)12-19(25-15(3)24)20-21(4,13-23)10-7-11-22(18,20)5/h6,17-20,23H,1,7-13H2,2-5H3/t17-,18-,19+,20-,21-,22+/m0/s1

InChIKey: InChIKey=XPBOSVHDPKPTRS-KINXCBNHSA-N

Formula: C22H34O3

Molecular Weight: 346.50439

Exact Mass: 346.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Torres-Mendoza, D., Urena Gonzalez, L.D., Ortega-Barria, E., Coley, P.D., Kursar, T.A., Capson, T.L., McPhail, K., Cubilla-Rios, L. J Nat Prod (2004) 67, 1711-5

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) 40.3
2 (CH2) 18.3
3 (CH2) 37.5
4 (C) 38.1
5 (CH) 49.2
6 (CH) 70.3
7 (CH2) 36.7
8 (CH) 36.7
9 (CH) 54.1
10 (C) 37.3
11 (CH2) 21.3
12 (CH2) 26.4
13 (C) 129.4
14 (C) 135.4
15 (CH) 135.6
16 (CH2) 110.9
17 (CH3) 16
18 (CH2) 71.5
19 (CH3) 19.1
20 (CH3) 16.8
6a (C) 170.6
6b (CH3) 21.9