Neoverrucosan-5b,18-diol

Neoverrucosan-5b,18-diol

Common Name: Neoverrucosan-5b,18-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O2/c1-12(2)13-5-6-18(3)7-8-19(4)10-15(22)20(11-21)9-14(20)17(19)16(13)18/h12-17,21-22H,5-11H2,1-4H3/t13-,14-,15+,16+,17+,18+,19-,20+/m0/s1

InChIKey: InChIKey=ASNUGHAOSOQWKY-LPNYPJOASA-N

Formula: C20H34O2

Molecular Weight: 306.483513

Exact Mass: 306.25588

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Spyere, A., Rowley, D.C., Jensen, P.R., Fenical, W. J Nat Prod (2003) 66, 818-22

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Neoverrucosanes; 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 (CH) 46.8
2 (CH) 21.5
3 (CH2) 17.8
4 (C) 28
5 (CH) 69.2
6 (CH2) 45.2
7 (C) 37.1
8 (CH2) 35.4
9 (CH2) 34.6
10 (C) 44.1
11 (CH2) 39.2
12 (CH2) 21.7
13 (CH) 46.2
14 (CH) 46.7
15 (CH) 28.8
16 (CH3) 15.1
17 (CH3) 22.9
18 (CH2) 73.6
19 (CH3) 18.7
20 (CH3) 17.1