Common Name: Isosteviol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1
InChIKey: InChIKey=KFVUFODCZDRVSS-XGBBNYNSSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hsu, F.L., Hou, C.C., Yang, L.M., Cheng, J.T., Chi, T.C., Liu, P.C., Lin, S.J. J Nat Prod (2002) 65, 273-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 40.6 |
2 (CH2) | 20.1 |
3 (CH2) | 39.1 |
4 (C) | 44.4 |
5 (CH) | 57.5 |
6 (CH2) | 22.9 |
7 (CH2) | 42.2 |
8 (C) | 40.1 |
9 (CH) | 55.2 |
10 (C) | 38.8 |
11 (CH2) | 21.1 |
12 (CH2) | 37.9 |
13 (C) | 49.1 |
14 (CH2) | 54.8 |
15 (CH2) | 49.1 |
16 (C) | 221.5 |
17 (CH3) | 20.8 |
18 (CH3) | 29.9 |
19 (C) | 180.5 |
20 (CH3) | 14.1 |