(3α,5β,8α,9ξ,10α,12α)-Atisane-3,16-diol

(3α,5β,8α,9ξ,10α,12α)-Atisane-3,16-diol

Common Name: (3α,5β,8α,9ξ,10α,12α)-Atisane-3,16-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O2/c1-17(2)14-6-10-20-9-5-13(19(4,22)12-20)11-15(20)18(14,3)8-7-16(17)21/h13-16,21-22H,5-12H2,1-4H3/t13-,14+,15-,16+,18+,19-,20+/m0/s1

InChIKey: InChIKey=ISWKVGZRDOOKMD-JTBPYRKJSA-N

Formula: C20H34O2

Molecular Weight: 306.483513

Exact Mass: 306.25588

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wang, Z.C., Lin, Y.M., Feng, D.Q., Ke, C.H., Lin, P., Yan, C.L., Chen, J.D. Molecules (2009) 14, 414-22

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) 37.5
2 (CH2) 26.8
3 (CH) 79.1
4 (C) 38.7
5 (CH) 55.3
6 (CH2) 18.4
7 (CH2) 39.4
8 (C) 33.6
9 (CH) 51.1
10 (C) 37.3
11 (CH2) 23.2
12 (CH) 37.8
13 (CH2) 24
14 (CH2) 27.1
15 (CH2) 57.4
16 (C) 72.1
17 (CH3) 30.4
18 (CH3) 28.1
19 (CH3) 15.5
20 (CH3) 13.9