6α-Hydroxyvouacupane

6α-Hydroxyvouacupane

Common Name: 6α-Hydroxyvouacupane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O2/c1-12-13-6-9-22-17(13)11-15-14(12)10-16(21)18-19(2,3)7-5-8-20(15,18)4/h6,9,12,14-16,18,21H,5,7-8,10-11H2,1-4H3/t12-,14-,15-,16-,18-,20+/m0/s1

InChIKey: InChIKey=GPSVNHQUZLUPFI-UMKJZZOCSA-N

Formula: C20H30O2

Molecular Weight: 302.45175

Exact Mass: 302.22458

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mendes, F.N.P., Silveira, E.R. Phytochemistry (1994) 35, 1499-503

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) 39.9
2 (CH2) 18.5
3 (CH2) 43.8
4 (C) 33.5
5 (CH) 60.2
6 (CH) 70.2
7 (CH2) 42.4
8 (CH) 35.5
9 (CH) 44.7
10 (C) 38.7
11 (CH2) 22.5
12 (C) 149.2
13 (C) 122.3
14 (CH) 31.1
15 (CH) 109.5
16 (CH) 140.5
17 (CH3) 17.3
18 (CH3) 37.1
19 (CH3) 22.7
20 (CH3) 15.5