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)
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 |